Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO27261 | Carica papaya | Species | Caricaceae | Eukaryota | TCM_Taiwan* | |||
NPO27261 | Carica papaya | Species | Caricaceae | Eukaryota | HerDing* | |||
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | TCM_Taiwan* | |||
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | HerDing* | |||
NPO11172 | Lepidii semen descurainiae semen | NA | NA | NA | TCMSP* | |||
NPO13337 | Sinapis semen | Species | Brassicaceae | Eukaryota | TCMSP* | |||
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | TM-MC* | |||
NPO27261 | Carica papaya | Species | Caricaceae | Eukaryota | TCMID* | |||
NPO11097 | Lepidium apetalum | Species | Brassicaceae | Eukaryota | TCMID* | |||
NPO12405 | Descurainia sophia | Species | Brassicaceae | Eukaryota | TCMID* | |||
NPO10300 | Tropaeolum majus | Species | Tropaeolaceae | Eukaryota | TCMID* | |||
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | TCMID* | |||
NPO10300 | Tropaeolum majus | Species | Tropaeolaceae | Eukaryota | TCM_Taiwan* | |||
NPO10300 | Tropaeolum majus | Species | Tropaeolaceae | Eukaryota | HerDing* | |||
NPO11097 | Lepidium apetalum | Species | Brassicaceae | Eukaryota | HerDing* | |||
NPO12405 | Descurainia sophia | Species | Brassicaceae | Eukaryota | HerDing* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT4948 | Individual Protein | Glutathione S-transferase kappa 1 | Homo sapiens | Activity | = | 1.01 | uM min-1 (mg of protein)-1 | 1732527 |
NPT5821 | Individual Protein | Glutathione S-transferase Mu 1 | Mus musculus | Ratio | = | 0.89 | 1732527 | |
NPT4948 | Individual Protein | Glutathione S-transferase kappa 1 | Homo sapiens | Activity | = | 1.17 | uM min-1 (mg of protein)-1 | 1732527 |
NPT5821 | Individual Protein | Glutathione S-transferase Mu 1 | Mus musculus | Ratio | = | 2.35 | 1732527 | |
NPT4948 | Individual Protein | Glutathione S-transferase kappa 1 | Homo sapiens | Activity | = | 1.59 | uM min-1 (mg of protein)-1 | 1732527 |
NPT5821 | Individual Protein | Glutathione S-transferase Mu 1 | Mus musculus | Ratio | = | 1.71 | 1732527 | |
NPT4948 | Individual Protein | Glutathione S-transferase kappa 1 | Homo sapiens | Activity | = | 0.36 | uM min-1 (mg of protein)-1 | 1732527 |
NPT5821 | Individual Protein | Glutathione S-transferase Mu 1 | Mus musculus | Ratio | = | 1.64 | 1732527 | |
NPT4948 | Individual Protein | Glutathione S-transferase kappa 1 | Homo sapiens | Activity | = | 0.3 | uM min-1 (mg of protein)-1 | 1732527 |
NPT5821 | Individual Protein | Glutathione S-transferase Mu 1 | Mus musculus | Ratio | = | 1 | 1732527 | |
NPT4948 | Individual Protein | Glutathione S-transferase kappa 1 | Homo sapiens | Activity | = | 5.3 | uM min-1 (mg of protein)-1 | 1732527 |
NPT5821 | Individual Protein | Glutathione S-transferase Mu 1 | Mus musculus | Ratio | = | 1.04 | 1732527 | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 42000 | nM | 19053750 |
NPT1125 | Cell Line | T98G | Homo sapiens | IC50 | > | 100000 | nM | 19053750 |
NPT306 | Cell Line | PC-3 | Homo sapiens | IC50 | > | 50000 | nM | 19053750 |
NPT492 | Cell Line | Caco-2 | Homo sapiens | IC50 | = | 15000 | nM | 19053750 |
NPT2644 | Cell Line | UACC-903 | Homo sapiens | IC50 | = | 15000 | nM | 19053750 |
NPT453 | Cell Line | HT-1080 | Homo sapiens | IC50 | > | 50000 | nM | 19053750 |
NPT2644 | Cell Line | UACC-903 | Homo sapiens | Activity | = | 40 | % | 19053750 |
NPT346 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Homo sapiens | EC50 | = | 319 | nM | 20356305 |
NPT346 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Homo sapiens | EC50 | = | 27542.29 | nM | 20806939 |
NPT346 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Homo sapiens | EC50 | = | 15488.17 | nM | 20806939 |
NPT346 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Homo sapiens | EC50 | = | 23988.33 | nM | 20806939 |
NPT346 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Homo sapiens | EC50 | = | 10964.78 | nM | 20806939 |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 22387.2 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 2818.4 | nM | PubChem BioAssay data set |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 5623.4 | nM | PubChem BioAssay data set |
NPT151 | Individual Protein | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 20500 | nM | 21704523 |
NPT396 | Cell Line | T47D | Homo sapiens | IC50 | = | 7400 | nM | 21704523 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 18900 | nM | 21704523 |
NPT114 | Cell Line | LoVo | Homo sapiens | IC50 | = | 12300 | nM | 21704523 |
NPT114 | Cell Line | LoVo | Homo sapiens | IC50 | = | 10500 | nM | 21704523 |
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | 39810.7 | nM | PubChem BioAssay data set | |
NPT444 | Individual Protein | Ubiquitin carboxyl-terminal hydrolase 1 | Homo sapiens | Potency | 44668.4 | nM | PubChem BioAssay data set | |
NPT1775 | Individual Protein | Cytochrome P450 2B1 | Rattus norvegicus | Ki | = | 5800 | nM | 16248836 |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 1177.61 | nM | PubChem BioAssay data set | |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 3698.28 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 3990.25 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 3810.66 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 2716.44 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 5767.66 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 1857.8 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 4130.48 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 2805.43 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 1819.7 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 3097.42 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 696.63 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 4130.48 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 2747.89 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 1312.2 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 3047.89 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 3427.68 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 2618.18 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 3069.02 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 10939.56 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 4709.77 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 1798.87 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 794.33 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 4365.16 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 2349.63 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 895.36 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 1221.8 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 1674.94 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 13931.57 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 456.04 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 3801.89 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 796.16 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 2322.74 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 6353.31 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 8279.42 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 4487.45 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 4265.8 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 3357.38 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 603.95 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 3349.65 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 14588.14 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 3228.49 | nM | PubChem BioAssay data set | |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | 4102.04 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 11015.39 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 10375.28 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 6266.14 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 3318.94 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 1849.27 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 4819.48 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 2162.72 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 2506.11 | nM | PubChem BioAssay data set | |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | 7079.46 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 421.7 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 3147.75 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 453.94 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 2471.72 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 10115.79 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 3083.19 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 1618.08 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 1513.56 | nM | PubChem BioAssay data set | |
NPT668 | Individual Protein | P-glycoprotein 1 | Homo sapiens | Activity | = | 2.5 | fold | 12425469 |
NPT449 | Organism | Meloidogyne javanica | Meloidogyne javanica | LC90 | = | 8.55 | ug/ml | 10.1016/j.cropro.2010.09.004 |
NPT449 | Organism | Meloidogyne javanica | Meloidogyne javanica | LC50 | = | 4.48 | ug/ml | 10.1016/j.cropro.2010.09.004 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | Inhibition | = | 63.3 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | Inhibition | = | 36.7 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | Inhibition | = | 92.5 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | Inhibition | = | 72.5 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | Inhibition | = | 62.5 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | Inhibition | = | 55 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | EC50 | = | 75100 | nM | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | EC50 | = | 676000 | nM | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | EC50 | = | 60100 | nM | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | GI | = | 100 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | Inhibition | = | 100 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | Inhibition | = | 53.3 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | Inhibition | = | 6.7 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | GI | = | 37 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | GI | = | 5 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | GI | = | 78.2 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | GI | = | 71.2 | % | 21370393 |
NPT638 | Organism | Sclerotinia sclerotiorum | Sclerotinia sclerotiorum | GI | = | 35 | % | 21370393 |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 101.94 | % | 23571415 |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 170.67 | % | 23571415 |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 62294 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 69287.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 55037.2 | nM | PubChem BioAssay data set | ||
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 24584.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 55519.6 | nM | PubChem BioAssay data set | ||
NPT162 | Individual Protein | Heat shock protein beta-1 | Homo sapiens | Potency | 49481.9 | nM | PubChem BioAssay data set | |
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | 62294 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 891.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 139.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 43717.6 | nM | PubChem BioAssay data set | ||
NPT1250 | Individual Protein | Macrophage migration inhibitory factor | Homo sapiens | IC50 | = | 540 | nM | 25743213 |
NPT1250 | Individual Protein | Macrophage migration inhibitory factor | Homo sapiens | IC50 | = | 530 | nM | 25743213 |
NPT74 | Individual Protein | Proto-oncogene c-JUN | Homo sapiens | Potency | 55519.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 11220.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 35030.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 62294 | nM | PubChem BioAssay data set | ||
NPT346 | Individual Protein | Transient receptor potential cation channel subfamily A member 1 | Homo sapiens | EC50 | = | 250 | nM | 26263397 |
NPT472 | Individual Protein | Vanilloid receptor | Homo sapiens | EC50 | = | 223000 | nM | 26263397 |
NPT114 | Cell Line | LoVo | Homo sapiens | IC50 | = | 14500 | nM | 26639764 |
NPT2 | Others | Unspecified | IC50 | = | 19800 | nM | 26639764 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC299134 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.9286 | High Similarity | NPC244738 |
0.8514 | High Similarity | NPC98976 |
0.8472 | Intermediate Similarity | NPC219246 |
0.84 | Intermediate Similarity | NPC271642 |
0.8182 | Intermediate Similarity | NPC12857 |
0.8052 | Intermediate Similarity | NPC98269 |
0.8052 | Intermediate Similarity | NPC325662 |
0.7973 | Intermediate Similarity | NPC229235 |
0.7738 | Intermediate Similarity | NPC473031 |
0.7692 | Intermediate Similarity | NPC139658 |
0.7683 | Intermediate Similarity | NPC104070 |
0.7662 | Intermediate Similarity | NPC113000 |
0.7662 | Intermediate Similarity | NPC122327 |
0.7662 | Intermediate Similarity | NPC112609 |
0.759 | Intermediate Similarity | NPC169016 |
0.7564 | Intermediate Similarity | NPC276699 |
0.7558 | Intermediate Similarity | NPC470877 |
0.7471 | Intermediate Similarity | NPC471307 |
0.7471 | Intermediate Similarity | NPC209764 |
0.7471 | Intermediate Similarity | NPC141139 |
0.7471 | Intermediate Similarity | NPC121872 |
0.7471 | Intermediate Similarity | NPC78041 |
0.7471 | Intermediate Similarity | NPC74936 |
0.7471 | Intermediate Similarity | NPC159178 |
0.747 | Intermediate Similarity | NPC119677 |
0.747 | Intermediate Similarity | NPC474088 |
0.7436 | Intermediate Similarity | NPC66775 |
0.7412 | Intermediate Similarity | NPC258046 |
0.7397 | Intermediate Similarity | NPC50266 |
0.7391 | Intermediate Similarity | NPC149436 |
0.7375 | Intermediate Similarity | NPC290638 |
0.7333 | Intermediate Similarity | NPC52330 |
0.7286 | Intermediate Similarity | NPC269586 |
0.7286 | Intermediate Similarity | NPC198841 |
0.7222 | Intermediate Similarity | NPC471309 |
0.7209 | Intermediate Similarity | NPC203076 |
0.7183 | Intermediate Similarity | NPC300345 |
0.7183 | Intermediate Similarity | NPC212114 |
0.7183 | Intermediate Similarity | NPC120441 |
0.7183 | Intermediate Similarity | NPC65873 |
0.7179 | Intermediate Similarity | NPC125144 |
0.7179 | Intermediate Similarity | NPC121708 |
0.7143 | Intermediate Similarity | NPC277704 |
0.7143 | Intermediate Similarity | NPC108339 |
0.7126 | Intermediate Similarity | NPC471638 |
0.7123 | Intermediate Similarity | NPC45255 |
0.7108 | Intermediate Similarity | NPC475573 |
0.7108 | Intermediate Similarity | NPC475289 |
0.7083 | Intermediate Similarity | NPC114327 |
0.7083 | Intermediate Similarity | NPC36357 |
0.7083 | Intermediate Similarity | NPC8235 |
0.7079 | Intermediate Similarity | NPC78154 |
0.7065 | Intermediate Similarity | NPC471320 |
0.7065 | Intermediate Similarity | NPC471319 |
0.7045 | Intermediate Similarity | NPC12429 |
0.7033 | Intermediate Similarity | NPC322040 |
0.7033 | Intermediate Similarity | NPC469330 |
0.7024 | Intermediate Similarity | NPC231986 |
0.7 | Intermediate Similarity | NPC470926 |
0.6986 | Remote Similarity | NPC147062 |
0.6986 | Remote Similarity | NPC169110 |
0.6974 | Remote Similarity | NPC36440 |
0.6941 | Remote Similarity | NPC14326 |
0.6923 | Remote Similarity | NPC473661 |
0.6923 | Remote Similarity | NPC200936 |
0.6907 | Remote Similarity | NPC469974 |
0.6892 | Remote Similarity | NPC150196 |
0.6892 | Remote Similarity | NPC248705 |
0.6892 | Remote Similarity | NPC135924 |
0.6892 | Remote Similarity | NPC54368 |
0.6892 | Remote Similarity | NPC238023 |
0.6892 | Remote Similarity | NPC210849 |
0.6892 | Remote Similarity | NPC246588 |
0.6892 | Remote Similarity | NPC310758 |
0.6889 | Remote Similarity | NPC316108 |
0.6849 | Remote Similarity | NPC64270 |
0.6813 | Remote Similarity | NPC245259 |
0.6813 | Remote Similarity | NPC226438 |
0.68 | Remote Similarity | NPC29680 |
0.68 | Remote Similarity | NPC22786 |
0.68 | Remote Similarity | NPC200745 |
0.68 | Remote Similarity | NPC71009 |
0.68 | Remote Similarity | NPC66517 |
0.6774 | Remote Similarity | NPC329430 |
0.6757 | Remote Similarity | NPC147578 |
0.6742 | Remote Similarity | NPC305602 |
0.6742 | Remote Similarity | NPC17497 |
0.6742 | Remote Similarity | NPC53492 |
0.6711 | Remote Similarity | NPC21211 |
0.6711 | Remote Similarity | NPC88566 |
0.6711 | Remote Similarity | NPC113670 |
0.6709 | Remote Similarity | NPC5324 |
0.6705 | Remote Similarity | NPC3210 |
0.6667 | Remote Similarity | NPC200624 |
0.6667 | Remote Similarity | NPC30445 |
0.6667 | Remote Similarity | NPC7067 |
0.6667 | Remote Similarity | NPC111233 |
0.6633 | Remote Similarity | NPC471317 |
0.6633 | Remote Similarity | NPC202613 |
0.6633 | Remote Similarity | NPC471310 |
0.6623 | Remote Similarity | NPC32312 |
0.6623 | Remote Similarity | NPC291066 |
0.6623 | Remote Similarity | NPC198023 |
0.6623 | Remote Similarity | NPC155172 |
0.6596 | Remote Similarity | NPC161972 |
0.6596 | Remote Similarity | NPC58674 |
0.6596 | Remote Similarity | NPC303045 |
0.6593 | Remote Similarity | NPC176858 |
0.6582 | Remote Similarity | NPC181786 |
0.6556 | Remote Similarity | NPC262295 |
0.6538 | Remote Similarity | NPC178527 |
0.6526 | Remote Similarity | NPC317400 |
0.6526 | Remote Similarity | NPC25565 |
0.6522 | Remote Similarity | NPC191444 |
0.6522 | Remote Similarity | NPC172128 |
0.6494 | Remote Similarity | NPC45756 |
0.6489 | Remote Similarity | NPC71140 |
0.6484 | Remote Similarity | NPC325441 |
0.6463 | Remote Similarity | NPC212463 |
0.6458 | Remote Similarity | NPC475439 |
0.6458 | Remote Similarity | NPC473501 |
0.6458 | Remote Similarity | NPC311242 |
0.6456 | Remote Similarity | NPC267443 |
0.6456 | Remote Similarity | NPC6107 |
0.6437 | Remote Similarity | NPC307456 |
0.6429 | Remote Similarity | NPC110264 |
0.642 | Remote Similarity | NPC271732 |
0.6413 | Remote Similarity | NPC173991 |
0.6404 | Remote Similarity | NPC133162 |
0.6383 | Remote Similarity | NPC108800 |
0.6375 | Remote Similarity | NPC82770 |
0.6375 | Remote Similarity | NPC311343 |
0.6375 | Remote Similarity | NPC78954 |
0.6375 | Remote Similarity | NPC239931 |
0.6374 | Remote Similarity | NPC198747 |
0.6374 | Remote Similarity | NPC60408 |
0.6364 | Remote Similarity | NPC291610 |
0.6364 | Remote Similarity | NPC239854 |
0.6344 | Remote Similarity | NPC258627 |
0.6329 | Remote Similarity | NPC289915 |
0.6329 | Remote Similarity | NPC113837 |
0.6327 | Remote Similarity | NPC12730 |
0.6324 | Remote Similarity | NPC11150 |
0.6322 | Remote Similarity | NPC192623 |
0.6311 | Remote Similarity | NPC164802 |
0.63 | Remote Similarity | NPC178681 |
0.6296 | Remote Similarity | NPC139416 |
0.6296 | Remote Similarity | NPC473206 |
0.6296 | Remote Similarity | NPC235059 |
0.6296 | Remote Similarity | NPC213570 |
0.6296 | Remote Similarity | NPC16190 |
0.6296 | Remote Similarity | NPC246822 |
0.6296 | Remote Similarity | NPC98880 |
0.6296 | Remote Similarity | NPC169222 |
0.6292 | Remote Similarity | NPC15839 |
0.6289 | Remote Similarity | NPC472258 |
0.6263 | Remote Similarity | NPC469457 |
0.625 | Remote Similarity | NPC256452 |
0.6235 | Remote Similarity | NPC302129 |
0.622 | Remote Similarity | NPC72670 |
0.622 | Remote Similarity | NPC251490 |
0.622 | Remote Similarity | NPC95289 |
0.622 | Remote Similarity | NPC263385 |
0.6211 | Remote Similarity | NPC265521 |
0.6203 | Remote Similarity | NPC264470 |
0.62 | Remote Similarity | NPC329375 |
0.6176 | Remote Similarity | NPC476198 |
0.6176 | Remote Similarity | NPC474695 |
0.6146 | Remote Similarity | NPC291070 |
0.6146 | Remote Similarity | NPC474974 |
0.6146 | Remote Similarity | NPC246757 |
0.6145 | Remote Similarity | NPC1008 |
0.6145 | Remote Similarity | NPC87099 |
0.6145 | Remote Similarity | NPC208302 |
0.6145 | Remote Similarity | NPC39799 |
0.6145 | Remote Similarity | NPC155429 |
0.6145 | Remote Similarity | NPC193578 |
0.6145 | Remote Similarity | NPC326200 |
0.6145 | Remote Similarity | NPC158028 |
0.6145 | Remote Similarity | NPC280135 |
0.6145 | Remote Similarity | NPC74458 |
0.6145 | Remote Similarity | NPC135433 |
0.6145 | Remote Similarity | NPC226999 |
0.6139 | Remote Similarity | NPC178902 |
0.6139 | Remote Similarity | NPC164859 |
0.6136 | Remote Similarity | NPC309279 |
0.6129 | Remote Similarity | NPC297532 |
0.6129 | Remote Similarity | NPC262393 |
0.6122 | Remote Similarity | NPC33168 |
0.6118 | Remote Similarity | NPC301874 |
0.61 | Remote Similarity | NPC29601 |
0.6082 | Remote Similarity | NPC215351 |
0.6082 | Remote Similarity | NPC20142 |
0.6078 | Remote Similarity | NPC224610 |
0.6078 | Remote Similarity | NPC194390 |
0.6078 | Remote Similarity | NPC88267 |
0.6078 | Remote Similarity | NPC113326 |
0.6078 | Remote Similarity | NPC275467 |
0.6071 | Remote Similarity | NPC54269 |
0.6071 | Remote Similarity | NPC271437 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC299134 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.9286 | High Similarity | NPD9728 | Phase 1 |
0.8289 | Intermediate Similarity | NPD603 | Approved |
0.8077 | Intermediate Similarity | NPD508 | Approved |
0.8077 | Intermediate Similarity | NPD507 | Approved |
0.7975 | Intermediate Similarity | NPD5371 | Approved |
0.7975 | Intermediate Similarity | NPD5372 | Approved |
0.7738 | Intermediate Similarity | NPD187 | Approved |
0.7662 | Intermediate Similarity | NPD9588 | Approved |
0.7662 | Intermediate Similarity | NPD9593 | Approved |
0.7662 | Intermediate Similarity | NPD80 | Approved |
0.7662 | Intermediate Similarity | NPD9591 | Approved |
0.7662 | Intermediate Similarity | NPD9592 | Approved |
0.7662 | Intermediate Similarity | NPD9594 | Approved |
0.7662 | Intermediate Similarity | NPD505 | Clinical (unspecified phase) |
0.7662 | Intermediate Similarity | NPD9589 | Approved |
0.7662 | Intermediate Similarity | NPD9590 | Approved |
0.7654 | Intermediate Similarity | NPD472 | Approved |
0.759 | Intermediate Similarity | NPD2538 | Approved |
0.759 | Intermediate Similarity | NPD2539 | Approved |
0.7558 | Intermediate Similarity | NPD297 | Approved |
0.7558 | Intermediate Similarity | NPD9 | Approved |
0.75 | Intermediate Similarity | NPD9505 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD296 | Approved |
0.75 | Intermediate Similarity | NPD293 | Approved |
0.75 | Intermediate Similarity | NPD295 | Approved |
0.7407 | Intermediate Similarity | NPD1053 | Approved |
0.7407 | Intermediate Similarity | NPD1052 | Approved |
0.7407 | Intermediate Similarity | NPD1051 | Approved |
0.7403 | Intermediate Similarity | NPD294 | Approved |
0.7403 | Intermediate Similarity | NPD292 | Approved |
0.7381 | Intermediate Similarity | NPD9395 | Approved |
0.7375 | Intermediate Similarity | NPD4147 | Approved |
0.7375 | Intermediate Similarity | NPD4144 | Approved |
0.7356 | Intermediate Similarity | NPD9350 | Approved |
0.7356 | Intermediate Similarity | NPD9351 | Phase 3 |
0.7356 | Intermediate Similarity | NPD9349 | Approved |
0.7356 | Intermediate Similarity | NPD9348 | Approved |
0.7303 | Intermediate Similarity | NPD6690 | Approved |
0.7297 | Intermediate Similarity | NPD173 | Clinical (unspecified phase) |
0.7284 | Intermediate Similarity | NPD79 | Approved |
0.7284 | Intermediate Similarity | NPD9397 | Approved |
0.7284 | Intermediate Similarity | NPD9393 | Approved |
0.7284 | Intermediate Similarity | NPD9564 | Approved |
0.7284 | Intermediate Similarity | NPD9563 | Approved |
0.7241 | Intermediate Similarity | NPD588 | Approved |
0.7241 | Intermediate Similarity | NPD9184 | Approved |
0.7241 | Intermediate Similarity | NPD587 | Approved |
0.7241 | Intermediate Similarity | NPD9186 | Approved |
0.7222 | Intermediate Similarity | NPD1080 | Approved |
0.7195 | Intermediate Similarity | NPD590 | Approved |
0.7195 | Intermediate Similarity | NPD589 | Approved |
0.7159 | Intermediate Similarity | NPD5656 | Clinical (unspecified phase) |
0.7108 | Intermediate Similarity | NPD260 | Discontinued |
0.7065 | Intermediate Similarity | NPD2507 | Clinical (unspecified phase) |
0.7065 | Intermediate Similarity | NPD157 | Clinical (unspecified phase) |
0.7059 | Intermediate Similarity | NPD831 | Approved |
0.7059 | Intermediate Similarity | NPD830 | Approved |
0.7033 | Intermediate Similarity | NPD8 | Approved |
0.7033 | Intermediate Similarity | NPD243 | Approved |
0.7024 | Intermediate Similarity | NPD4027 | Approved |
0.7024 | Intermediate Similarity | NPD3035 | Approved |
0.7024 | Intermediate Similarity | NPD4026 | Approved |
0.7011 | Intermediate Similarity | NPD304 | Approved |
0.7011 | Intermediate Similarity | NPD305 | Approved |
0.7 | Intermediate Similarity | NPD3000 | Approved |
0.7 | Intermediate Similarity | NPD7160 | Approved |
0.7 | Intermediate Similarity | NPD2998 | Approved |
0.7 | Intermediate Similarity | NPD2997 | Approved |
0.6977 | Remote Similarity | NPD785 | Approved |
0.6977 | Remote Similarity | NPD5178 | Approved |
0.6941 | Remote Similarity | NPD4170 | Approved |
0.6941 | Remote Similarity | NPD4169 | Approved |
0.6941 | Remote Similarity | NPD4701 | Clinical (unspecified phase) |
0.6923 | Remote Similarity | NPD4407 | Approved |
0.6923 | Remote Similarity | NPD4405 | Approved |
0.6923 | Remote Similarity | NPD4408 | Approved |
0.6907 | Remote Similarity | NPD489 | Approved |
0.6907 | Remote Similarity | NPD488 | Approved |
0.6905 | Remote Similarity | NPD1617 | Discontinued |
0.6897 | Remote Similarity | NPD5916 | Discontinued |
0.686 | Remote Similarity | NPD1800 | Clinical (unspecified phase) |
0.686 | Remote Similarity | NPD4635 | Approved |
0.6854 | Remote Similarity | NPD3345 | Approved |
0.6848 | Remote Similarity | NPD4545 | Approved |
0.6848 | Remote Similarity | NPD735 | Approved |
0.6848 | Remote Similarity | NPD6548 | Approved |
0.6848 | Remote Similarity | NPD4542 | Approved |
0.6848 | Remote Similarity | NPD6549 | Approved |
0.6848 | Remote Similarity | NPD736 | Approved |
0.6818 | Remote Similarity | NPD5252 | Clinical (unspecified phase) |
0.6813 | Remote Similarity | NPD517 | Discontinued |
0.6804 | Remote Similarity | NPD154 | Discontinued |
0.6774 | Remote Similarity | NPD5554 | Approved |
0.6742 | Remote Similarity | NPD782 | Approved |
0.6742 | Remote Similarity | NPD780 | Approved |
0.6742 | Remote Similarity | NPD783 | Approved |
0.6742 | Remote Similarity | NPD781 | Approved |
0.6739 | Remote Similarity | NPD1814 | Approved |
0.6739 | Remote Similarity | NPD1812 | Approved |
0.6735 | Remote Similarity | NPD3407 | Phase 3 |
0.6711 | Remote Similarity | NPD675 | Discontinued |
0.6706 | Remote Similarity | NPD3904 | Approved |
0.6706 | Remote Similarity | NPD3903 | Approved |
0.6706 | Remote Similarity | NPD3979 | Approved |
0.6706 | Remote Similarity | NPD3981 | Approved |
0.6705 | Remote Similarity | NPD2205 | Approved |
0.6705 | Remote Similarity | NPD2208 | Approved |
0.6702 | Remote Similarity | NPD2005 | Discontinued |
0.6701 | Remote Similarity | NPD1417 | Approved |
0.6701 | Remote Similarity | NPD1419 | Approved |
0.6667 | Remote Similarity | NPD5675 | Discontinued |
0.6667 | Remote Similarity | NPD837 | Approved |
0.6667 | Remote Similarity | NPD2001 | Discontinued |
0.6667 | Remote Similarity | NPD199 | Approved |
0.6667 | Remote Similarity | NPD197 | Approved |
0.6633 | Remote Similarity | NPD5103 | Approved |
0.6633 | Remote Similarity | NPD2244 | Clinical (unspecified phase) |
0.6632 | Remote Similarity | NPD5598 | Approved |
0.6632 | Remote Similarity | NPD5597 | Approved |
0.6632 | Remote Similarity | NPD9489 | Approved |
0.6632 | Remote Similarity | NPD9488 | Approved |
0.6629 | Remote Similarity | NPD4406 | Approved |
0.6629 | Remote Similarity | NPD4409 | Approved |
0.6629 | Remote Similarity | NPD4636 | Approved |
0.6596 | Remote Similarity | NPD1081 | Clinical (unspecified phase) |
0.6593 | Remote Similarity | NPD771 | Phase 3 |
0.6562 | Remote Similarity | NPD6499 | Approved |
0.6562 | Remote Similarity | NPD6498 | Approved |
0.6559 | Remote Similarity | NPD9361 | Approved |
0.6556 | Remote Similarity | NPD4146 | Approved |
0.6556 | Remote Similarity | NPD2002 | Discontinued |
0.6556 | Remote Similarity | NPD3428 | Approved |
0.6556 | Remote Similarity | NPD3426 | Approved |
0.6556 | Remote Similarity | NPD4145 | Approved |
0.6526 | Remote Similarity | NPD2895 | Discontinued |
0.6526 | Remote Similarity | NPD838 | Approved |
0.6522 | Remote Similarity | NPD5915 | Approved |
0.6522 | Remote Similarity | NPD3346 | Approved |
0.6522 | Remote Similarity | NPD3344 | Approved |
0.65 | Remote Similarity | NPD959 | Discontinued |
0.65 | Remote Similarity | NPD564 | Approved |
0.65 | Remote Similarity | NPD563 | Approved |
0.6495 | Remote Similarity | NPD787 | Suspended |
0.6495 | Remote Similarity | NPD1946 | Clinical (unspecified phase) |
0.6477 | Remote Similarity | NPD262 | Approved |
0.6477 | Remote Similarity | NPD263 | Approved |
0.6465 | Remote Similarity | NPD1396 | Approved |
0.6458 | Remote Similarity | NPD2487 | Clinical (unspecified phase) |
0.6452 | Remote Similarity | NPD4543 | Discontinued |
0.6444 | Remote Similarity | NPD3099 | Discontinued |
0.6429 | Remote Similarity | NPD1916 | Discontinued |
0.6404 | Remote Similarity | NPD4544 | Approved |
0.6404 | Remote Similarity | NPD3427 | Approved |
0.6404 | Remote Similarity | NPD3429 | Approved |
0.6392 | Remote Similarity | NPD1724 | Approved |
0.6373 | Remote Similarity | NPD2243 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD1540 | Approved |
0.6364 | Remote Similarity | NPD813 | Approved |
0.6364 | Remote Similarity | NPD2483 | Discontinued |
0.6354 | Remote Similarity | NPD6472 | Discontinued |
0.6344 | Remote Similarity | NPD4728 | Approved |
0.6316 | Remote Similarity | NPD2878 | Approved |
0.6311 | Remote Similarity | NPD2678 | Approved |
0.6311 | Remote Similarity | NPD477 | Phase 1 |
0.6311 | Remote Similarity | NPD7156 | Discontinued |
0.6311 | Remote Similarity | NPD2679 | Approved |
0.63 | Remote Similarity | NPD1542 | Approved |
0.6296 | Remote Similarity | NPD9497 | Clinical (unspecified phase) |
0.6289 | Remote Similarity | NPD528 | Clinical (unspecified phase) |
0.6275 | Remote Similarity | NPD9702 | Discontinued |
0.6263 | Remote Similarity | NPD1795 | Discontinued |
0.6263 | Remote Similarity | NPD4760 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD2656 | Approved |
0.625 | Remote Similarity | NPD7120 | Approved |
0.625 | Remote Similarity | NPD665 | Phase 2 |
0.625 | Remote Similarity | NPD1107 | Approved |
0.625 | Remote Similarity | NPD1108 | Approved |
0.625 | Remote Similarity | NPD2655 | Approved |
0.6238 | Remote Similarity | NPD2937 | Phase 1 |
0.6238 | Remote Similarity | NPD4936 | Approved |
0.6238 | Remote Similarity | NPD4937 | Approved |
0.6238 | Remote Similarity | NPD2939 | Approved |
0.6226 | Remote Similarity | NPD1267 | Approved |
0.6226 | Remote Similarity | NPD1265 | Approved |
0.6224 | Remote Similarity | NPD5832 | Phase 3 |
0.6214 | Remote Similarity | NPD6299 | Approved |
0.6214 | Remote Similarity | NPD6300 | Approved |
0.6204 | Remote Similarity | NPD224 | Phase 2 |
0.62 | Remote Similarity | NPD4735 | Approved |
0.62 | Remote Similarity | NPD4734 | Approved |
0.6196 | Remote Similarity | NPD9538 | Approved |
0.6186 | Remote Similarity | NPD1738 | Approved |
0.6176 | Remote Similarity | NPD414 | Discontinued |
0.6162 | Remote Similarity | NPD4737 | Phase 2 |
0.6162 | Remote Similarity | NPD4008 | Approved |
0.6162 | Remote Similarity | NPD4007 | Approved |
0.6162 | Remote Similarity | NPD1796 | Phase 3 |
0.6162 | Remote Similarity | NPD1067 | Discontinued |
0.6146 | Remote Similarity | NPD3982 | Approved |
0.6146 | Remote Similarity | NPD3980 | Approved |
PubChem CID   | 2346 |
ChEMBL   | CHEMBL55285 |
ZINC   |
Molecular Weight:   | 149.03 |
ALogP:   | 0.0517 |
MLogP:   | 2.12 |
XLogP:   | 4.36 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 44.45 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 10 |