Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO30415 | Lindera aggregate | Species | Tineidae | Eukaryota | TCM_Taiwan* | |||
NPO4682 | Lindera aggregata | Species | Lauraceae | Eukaryota | TM-MC* | |||
NPO13346 | Lindera strichnifolia | Species | Tineidae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 28183.8 | nM | PubChem BioAssay data set |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 22387.2 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 707.9 | nM | PubChem BioAssay data set |
NPT791 | Individual Protein | Cruzipain | Trypanosoma cruzi | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 11220.2 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 28183.8 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 11220.2 | nM | PubChem BioAssay data set |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT55 | Individual Protein | Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | = | 15811.4 | nM | PubChem BioAssay data set |
NPT55 | Individual Protein | Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | = | 6294.6 | nM | PubChem BioAssay data set |
NPT151 | Individual Protein | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Homo sapiens | Potency | = | 28183.8 | nM | PubChem BioAssay data set |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 28183.8 | nM | PubChem BioAssay data set |
NPT151 | Individual Protein | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT60 | Individual Protein | Lysosomal alpha-glucosidase | Homo sapiens | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 15848.9 | nM | PubChem BioAssay data set | |
NPT443 | Individual Protein | Histone acetyltransferase GCN5 | Homo sapiens | Potency | 794.3 | nM | PubChem BioAssay data set | |
NPT63 | Individual Protein | Bromodomain adjacent to zinc finger domain protein 2B | Homo sapiens | Potency | 79432.8 | nM | PubChem BioAssay data set | |
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | 5802.4 | nM | PubChem BioAssay data set | |
NPT533 | Protein-Protein Interaction | Runt-related transcription factor 1/Core-binding factor subunit beta | Homo sapiens | Potency | 25118.9 | nM | PubChem BioAssay data set | |
NPT533 | Protein-Protein Interaction | Runt-related transcription factor 1/Core-binding factor subunit beta | Homo sapiens | Potency | 28183.8 | nM | PubChem BioAssay data set | |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 13115.4 | nM | PubChem BioAssay data set | |
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | 5011.9 | nM | PubChem BioAssay data set | |
NPT803 | Individual Protein | Flap endonuclease 1 | Homo sapiens | Potency | 25118.9 | nM | PubChem BioAssay data set | |
NPT9 | Individual Protein | DNA polymerase eta | Homo sapiens | Potency | 28183.8 | nM | PubChem BioAssay data set | |
NPT84 | Individual Protein | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Rattus norvegicus | AC50 | = | 3826 | nM | PubChem BioAssay data set |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | 17782.8 | nM | PubChem BioAssay data set | |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 16511.3 | nM | PubChem BioAssay data set | |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | Potency | 28183.8 | nM | PubChem BioAssay data set | |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 78342.96 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 91411.32 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 39902.49 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 89742.88 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 98855.31 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 58344.51 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 86099.38 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 59703.53 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 56363.77 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 81096.11 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 77983.01 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | 96605.09 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 62230.03 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 69662.65 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 73451.39 | nM | PubChem BioAssay data set | |
NPT1251 | Individual Protein | Mitochondrial peptide methionine sulfoxide reductase | Bos taurus | IC50 | 53925 | nM | PubChem BioAssay data set | |
NPT101 | Individual Protein | Glucagon-like peptide 1 receptor | Homo sapiens | Potency | 12589.3 | nM | PubChem BioAssay data set | |
NPT755 | Individual Protein | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens | Potency | 56234.1 | nM | PubChem BioAssay data set | |
NPT105 | Individual Protein | Muscleblind-like protein 1 | Homo sapiens | Potency | 15848.9 | nM | PubChem BioAssay data set | |
NPT105 | Individual Protein | Muscleblind-like protein 1 | Homo sapiens | Potency | 19952.6 | nM | PubChem BioAssay data set | |
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | 44668.4 | nM | PubChem BioAssay data set |
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 NPC13504 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 |
---|---|---|
1.0 | High Similarity | NPC477563 |
1.0 | High Similarity | NPC306843 |
1.0 | High Similarity | NPC253043 |
1.0 | High Similarity | NPC212794 |
1.0 | High Similarity | NPC96603 |
1.0 | High Similarity | NPC196447 |
1.0 | High Similarity | NPC136508 |
1.0 | High Similarity | NPC78222 |
0.9934 | High Similarity | NPC324144 |
0.987 | High Similarity | NPC306555 |
0.987 | High Similarity | NPC12053 |
0.987 | High Similarity | NPC81218 |
0.987 | High Similarity | NPC474931 |
0.987 | High Similarity | NPC158376 |
0.987 | High Similarity | NPC145832 |
0.987 | High Similarity | NPC117188 |
0.987 | High Similarity | NPC205421 |
0.9682 | High Similarity | NPC239775 |
0.9675 | High Similarity | NPC1229 |
0.9673 | High Similarity | NPC27410 |
0.9673 | High Similarity | NPC166014 |
0.9618 | High Similarity | NPC26240 |
0.9618 | High Similarity | NPC69712 |
0.9618 | High Similarity | NPC477562 |
0.956 | High Similarity | NPC229166 |
0.956 | High Similarity | NPC128560 |
0.956 | High Similarity | NPC199465 |
0.9539 | High Similarity | NPC325871 |
0.9539 | High Similarity | NPC99659 |
0.9497 | High Similarity | NPC477020 |
0.9497 | High Similarity | NPC192135 |
0.9497 | High Similarity | NPC66341 |
0.9494 | High Similarity | NPC168753 |
0.9494 | High Similarity | NPC118274 |
0.9441 | High Similarity | NPC114364 |
0.9441 | High Similarity | NPC320223 |
0.9416 | High Similarity | NPC476572 |
0.9359 | High Similarity | NPC60186 |
0.9304 | High Similarity | NPC81247 |
0.9304 | High Similarity | NPC35627 |
0.9304 | High Similarity | NPC476573 |
0.9268 | High Similarity | NPC116284 |
0.9264 | High Similarity | NPC474507 |
0.9216 | High Similarity | NPC326316 |
0.9216 | High Similarity | NPC81733 |
0.9207 | High Similarity | NPC477561 |
0.9207 | High Similarity | NPC312918 |
0.9207 | High Similarity | NPC155442 |
0.9207 | High Similarity | NPC476574 |
0.9141 | High Similarity | NPC476577 |
0.9141 | High Similarity | NPC148709 |
0.9141 | High Similarity | NPC173416 |
0.9125 | High Similarity | NPC298979 |
0.9119 | High Similarity | NPC302527 |
0.9119 | High Similarity | NPC167546 |
0.9119 | High Similarity | NPC16805 |
0.9096 | High Similarity | NPC135772 |
0.9062 | High Similarity | NPC24264 |
0.9062 | High Similarity | NPC476432 |
0.9038 | High Similarity | NPC276588 |
0.9038 | High Similarity | NPC110416 |
0.9038 | High Similarity | NPC207757 |
0.9038 | High Similarity | NPC204828 |
0.9038 | High Similarity | NPC295691 |
0.9038 | High Similarity | NPC39701 |
0.9038 | High Similarity | NPC172765 |
0.9038 | High Similarity | NPC278799 |
0.9038 | High Similarity | NPC189266 |
0.9038 | High Similarity | NPC127674 |
0.9038 | High Similarity | NPC54379 |
0.9038 | High Similarity | NPC2413 |
0.9038 | High Similarity | NPC184026 |
0.9038 | High Similarity | NPC469817 |
0.9038 | High Similarity | NPC5238 |
0.9038 | High Similarity | NPC249797 |
0.9038 | High Similarity | NPC193949 |
0.9026 | High Similarity | NPC192768 |
0.9026 | High Similarity | NPC88249 |
0.9026 | High Similarity | NPC151895 |
0.9026 | High Similarity | NPC97221 |
0.9026 | High Similarity | NPC220858 |
0.902 | High Similarity | NPC428 |
0.902 | High Similarity | NPC246587 |
0.902 | High Similarity | NPC135538 |
0.902 | High Similarity | NPC24233 |
0.902 | High Similarity | NPC476571 |
0.902 | High Similarity | NPC147390 |
0.9006 | High Similarity | NPC247389 |
0.9006 | High Similarity | NPC210918 |
0.9 | High Similarity | NPC225774 |
0.9 | High Similarity | NPC24465 |
0.8994 | High Similarity | NPC82763 |
0.8981 | High Similarity | NPC186063 |
0.8961 | High Similarity | NPC477565 |
0.8961 | High Similarity | NPC103379 |
0.8954 | High Similarity | NPC321505 |
0.8954 | High Similarity | NPC191376 |
0.8954 | High Similarity | NPC179825 |
0.8944 | High Similarity | NPC13916 |
0.8944 | High Similarity | NPC264850 |
0.8944 | High Similarity | NPC219341 |
0.8935 | High Similarity | NPC476576 |
0.8935 | High Similarity | NPC186546 |
0.8922 | High Similarity | NPC248642 |
0.8916 | High Similarity | NPC126284 |
0.8889 | High Similarity | NPC478093 |
0.8889 | High Similarity | NPC204947 |
0.8876 | High Similarity | NPC320088 |
0.8869 | High Similarity | NPC156576 |
0.8861 | High Similarity | NPC203784 |
0.8861 | High Similarity | NPC170503 |
0.8861 | High Similarity | NPC126519 |
0.8848 | High Similarity | NPC477558 |
0.8841 | High Similarity | NPC149090 |
0.8841 | High Similarity | NPC19520 |
0.8837 | High Similarity | NPC473589 |
0.8837 | High Similarity | NPC478092 |
0.8837 | High Similarity | NPC30182 |
0.8837 | High Similarity | NPC478091 |
0.8831 | High Similarity | NPC476151 |
0.8824 | High Similarity | NPC185838 |
0.8812 | High Similarity | NPC160298 |
0.8812 | High Similarity | NPC232924 |
0.8812 | High Similarity | NPC266753 |
0.8812 | High Similarity | NPC477559 |
0.8812 | High Similarity | NPC306902 |
0.8802 | High Similarity | NPC32154 |
0.8797 | High Similarity | NPC244112 |
0.878 | High Similarity | NPC6152 |
0.8773 | High Similarity | NPC150879 |
0.8773 | High Similarity | NPC210140 |
0.8765 | High Similarity | NPC57036 |
0.872 | High Similarity | NPC83198 |
0.872 | High Similarity | NPC204908 |
0.8712 | High Similarity | NPC124657 |
0.8696 | High Similarity | NPC235143 |
0.8696 | High Similarity | NPC205167 |
0.8696 | High Similarity | NPC205255 |
0.8696 | High Similarity | NPC271388 |
0.8696 | High Similarity | NPC230956 |
0.8696 | High Similarity | NPC119649 |
0.8696 | High Similarity | NPC249274 |
0.8683 | High Similarity | NPC241704 |
0.8671 | High Similarity | NPC26601 |
0.8667 | High Similarity | NPC152212 |
0.8655 | High Similarity | NPC214116 |
0.865 | High Similarity | NPC276944 |
0.865 | High Similarity | NPC232514 |
0.865 | High Similarity | NPC238530 |
0.865 | High Similarity | NPC169743 |
0.865 | High Similarity | NPC134858 |
0.8647 | High Similarity | NPC33902 |
0.8647 | High Similarity | NPC276674 |
0.8642 | High Similarity | NPC80759 |
0.8642 | High Similarity | NPC79402 |
0.8634 | High Similarity | NPC221864 |
0.8634 | High Similarity | NPC111485 |
0.8631 | High Similarity | NPC118633 |
0.8631 | High Similarity | NPC148693 |
0.8631 | High Similarity | NPC294790 |
0.8623 | High Similarity | NPC329969 |
0.8616 | High Similarity | NPC2295 |
0.8616 | High Similarity | NPC477564 |
0.8614 | High Similarity | NPC231371 |
0.8608 | High Similarity | NPC277669 |
0.8608 | High Similarity | NPC76213 |
0.8605 | High Similarity | NPC275680 |
0.8605 | High Similarity | NPC22115 |
0.859 | High Similarity | NPC16107 |
0.859 | High Similarity | NPC210437 |
0.859 | High Similarity | NPC476144 |
0.859 | High Similarity | NPC106295 |
0.859 | High Similarity | NPC51957 |
0.8589 | High Similarity | NPC233650 |
0.858 | High Similarity | NPC220961 |
0.8571 | High Similarity | NPC128019 |
0.8571 | High Similarity | NPC476567 |
0.8571 | High Similarity | NPC136860 |
0.8563 | High Similarity | NPC78284 |
0.8563 | High Similarity | NPC152680 |
0.8563 | High Similarity | NPC190783 |
0.8563 | High Similarity | NPC232386 |
0.8562 | High Similarity | NPC213206 |
0.8562 | High Similarity | NPC188163 |
0.8562 | High Similarity | NPC470925 |
0.8562 | High Similarity | NPC474915 |
0.8562 | High Similarity | NPC328750 |
0.8535 | High Similarity | NPC7467 |
0.8535 | High Similarity | NPC130941 |
0.8529 | High Similarity | NPC286119 |
0.8521 | High Similarity | NPC190461 |
0.8506 | High Similarity | NPC475754 |
0.8497 | Intermediate Similarity | NPC314682 |
0.8494 | Intermediate Similarity | NPC241055 |
0.8488 | Intermediate Similarity | NPC16357 |
0.8488 | Intermediate Similarity | NPC302245 |
0.8488 | Intermediate Similarity | NPC95426 |
0.8485 | Intermediate Similarity | NPC240841 |
0.8485 | Intermediate Similarity | NPC42549 |
0.8485 | Intermediate Similarity | NPC250846 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC13504 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 |
---|---|---|---|
0.8889 | High Similarity | NPD2420 | Approved |
0.8889 | High Similarity | NPD2421 | Approved |
0.8606 | High Similarity | NPD27 | Approved |
0.8606 | High Similarity | NPD2489 | Approved |
0.8598 | High Similarity | NPD3051 | Approved |
0.859 | High Similarity | NPD4584 | Approved |
0.8562 | High Similarity | NPD4664 | Clinical (unspecified phase) |
0.8545 | High Similarity | NPD2970 | Approved |
0.8545 | High Similarity | NPD2969 | Approved |
0.848 | Intermediate Similarity | NPD8053 | Approved |
0.848 | Intermediate Similarity | NPD8054 | Approved |
0.8439 | Intermediate Similarity | NPD7906 | Approved |
0.8314 | Intermediate Similarity | NPD4577 | Approved |
0.8314 | Intermediate Similarity | NPD7312 | Approved |
0.8314 | Intermediate Similarity | NPD4578 | Approved |
0.8314 | Intermediate Similarity | NPD7311 | Approved |
0.8314 | Intermediate Similarity | NPD7313 | Approved |
0.8314 | Intermediate Similarity | NPD7310 | Approved |
0.8276 | Intermediate Similarity | NPD4663 | Approved |
0.8274 | Intermediate Similarity | NPD2898 | Approved |
0.8266 | Intermediate Similarity | NPD7309 | Approved |
0.8263 | Intermediate Similarity | NPD4010 | Discontinued |
0.8171 | Intermediate Similarity | NPD6818 | Clinical (unspecified phase) |
0.8165 | Intermediate Similarity | NPD5241 | Discontinued |
0.8144 | Intermediate Similarity | NPD7201 | Clinical (unspecified phase) |
0.8113 | Intermediate Similarity | NPD3845 | Phase 1 |
0.8113 | Intermediate Similarity | NPD2422 | Clinical (unspecified phase) |
0.807 | Intermediate Similarity | NPD8252 | Approved |
0.807 | Intermediate Similarity | NPD8251 | Approved |
0.807 | Intermediate Similarity | NPD8099 | Discontinued |
0.8059 | Intermediate Similarity | NPD4481 | Phase 3 |
0.8034 | Intermediate Similarity | NPD2490 | Approved |
0.8034 | Intermediate Similarity | NPD2488 | Approved |
0.8024 | Intermediate Similarity | NPD7831 | Phase 2 |
0.8024 | Intermediate Similarity | NPD7833 | Phase 2 |
0.8024 | Intermediate Similarity | NPD7832 | Clinical (unspecified phase) |
0.8023 | Intermediate Similarity | NPD8156 | Discontinued |
0.8 | Intermediate Similarity | NPD7298 | Approved |
0.8 | Intermediate Similarity | NPD3534 | Clinical (unspecified phase) |
0.7964 | Intermediate Similarity | NPD6788 | Approved |
0.7939 | Intermediate Similarity | NPD4773 | Phase 2 |
0.7939 | Intermediate Similarity | NPD4772 | Phase 2 |
0.7927 | Intermediate Similarity | NPD4017 | Approved |
0.7901 | Intermediate Similarity | NPD1754 | Clinical (unspecified phase) |
0.7841 | Intermediate Similarity | NPD8453 | Clinical (unspecified phase) |
0.7838 | Intermediate Similarity | NPD3450 | Approved |
0.7838 | Intermediate Similarity | NPD2494 | Approved |
0.7838 | Intermediate Similarity | NPD2493 | Approved |
0.7838 | Intermediate Similarity | NPD3452 | Approved |
0.7836 | Intermediate Similarity | NPD6071 | Discontinued |
0.7805 | Intermediate Similarity | NPD3640 | Phase 3 |
0.7805 | Intermediate Similarity | NPD3639 | Approved |
0.7805 | Intermediate Similarity | NPD3641 | Approved |
0.7798 | Intermediate Similarity | NPD2560 | Approved |
0.7798 | Intermediate Similarity | NPD2563 | Approved |
0.7756 | Intermediate Similarity | NPD3110 | Approved |
0.7756 | Intermediate Similarity | NPD3109 | Approved |
0.7751 | Intermediate Similarity | NPD4581 | Clinical (unspecified phase) |
0.7713 | Intermediate Similarity | NPD4583 | Approved |
0.7713 | Intermediate Similarity | NPD4582 | Approved |
0.7697 | Intermediate Similarity | NPD2971 | Approved |
0.7697 | Intermediate Similarity | NPD2968 | Approved |
0.7697 | Intermediate Similarity | NPD6030 | Approved |
0.7697 | Intermediate Similarity | NPD6031 | Approved |
0.7673 | Intermediate Similarity | NPD6029 | Clinical (unspecified phase) |
0.7673 | Intermediate Similarity | NPD6028 | Clinical (unspecified phase) |
0.7663 | Intermediate Similarity | NPD7667 | Clinical (unspecified phase) |
0.766 | Intermediate Similarity | NPD4002 | Approved |
0.766 | Intermediate Similarity | NPD4004 | Approved |
0.7625 | Intermediate Similarity | NPD1632 | Clinical (unspecified phase) |
0.7622 | Intermediate Similarity | NPD2973 | Approved |
0.7622 | Intermediate Similarity | NPD2974 | Approved |
0.7622 | Intermediate Similarity | NPD2975 | Approved |
0.7602 | Intermediate Similarity | NPD4055 | Discovery |
0.7564 | Intermediate Similarity | NPD5155 | Approved |
0.7564 | Intermediate Similarity | NPD2669 | Clinical (unspecified phase) |
0.7564 | Intermediate Similarity | NPD5156 | Approved |
0.753 | Intermediate Similarity | NPD6090 | Discontinued |
0.7516 | Intermediate Similarity | NPD5718 | Phase 2 |
0.75 | Intermediate Similarity | NPD3594 | Approved |
0.75 | Intermediate Similarity | NPD2605 | Approved |
0.75 | Intermediate Similarity | NPD5602 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD7047 | Phase 3 |
0.75 | Intermediate Similarity | NPD7261 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD2606 | Approved |
0.75 | Intermediate Similarity | NPD4580 | Approved |
0.75 | Intermediate Similarity | NPD3595 | Approved |
0.75 | Intermediate Similarity | NPD5084 | Clinical (unspecified phase) |
0.7485 | Intermediate Similarity | NPD3060 | Approved |
0.7485 | Intermediate Similarity | NPD5177 | Phase 3 |
0.7471 | Intermediate Similarity | NPD7802 | Discontinued |
0.7469 | Intermediate Similarity | NPD4726 | Approved |
0.7469 | Intermediate Similarity | NPD4725 | Approved |
0.7469 | Intermediate Similarity | NPD4721 | Approved |
0.7468 | Intermediate Similarity | NPD2674 | Phase 3 |
0.7453 | Intermediate Similarity | NPD1753 | Discontinued |
0.745 | Intermediate Similarity | NPD6997 | Phase 2 |
0.7436 | Intermediate Similarity | NPD3637 | Approved |
0.7436 | Intermediate Similarity | NPD3636 | Approved |
0.7436 | Intermediate Similarity | NPD3635 | Approved |
0.7435 | Intermediate Similarity | NPD4040 | Phase 1 |
0.743 | Intermediate Similarity | NPD6297 | Approved |
0.7427 | Intermediate Similarity | NPD2978 | Approved |
0.7427 | Intermediate Similarity | NPD2977 | Approved |
0.7416 | Intermediate Similarity | NPD6042 | Phase 2 |
0.7416 | Intermediate Similarity | NPD42 | Phase 2 |
0.7396 | Intermediate Similarity | NPD4005 | Discontinued |
0.7394 | Intermediate Similarity | NPD5307 | Clinical (unspecified phase) |
0.7371 | Intermediate Similarity | NPD6107 | Approved |
0.7365 | Intermediate Similarity | NPD1424 | Approved |
0.7362 | Intermediate Similarity | NPD2029 | Clinical (unspecified phase) |
0.7358 | Intermediate Similarity | NPD4474 | Approved |
0.7358 | Intermediate Similarity | NPD4475 | Approved |
0.733 | Intermediate Similarity | NPD3448 | Approved |
0.733 | Intermediate Similarity | NPD2491 | Approved |
0.733 | Intermediate Similarity | NPD3057 | Approved |
0.7314 | Intermediate Similarity | NPD4666 | Phase 3 |
0.7308 | Intermediate Similarity | NPD5917 | Clinical (unspecified phase) |
0.7305 | Intermediate Similarity | NPD3124 | Discontinued |
0.7296 | Intermediate Similarity | NPD3145 | Approved |
0.7296 | Intermediate Similarity | NPD3144 | Approved |
0.7284 | Intermediate Similarity | NPD6896 | Approved |
0.7284 | Intermediate Similarity | NPD6895 | Approved |
0.7278 | Intermediate Similarity | NPD5752 | Clinical (unspecified phase) |
0.7273 | Intermediate Similarity | NPD4236 | Phase 3 |
0.7273 | Intermediate Similarity | NPD4237 | Approved |
0.7268 | Intermediate Similarity | NPD7090 | Clinical (unspecified phase) |
0.7268 | Intermediate Similarity | NPD6851 | Approved |
0.7268 | Intermediate Similarity | NPD6853 | Approved |
0.7263 | Intermediate Similarity | NPD8095 | Phase 1 |
0.7262 | Intermediate Similarity | NPD4160 | Clinical (unspecified phase) |
0.7262 | Intermediate Similarity | NPD4123 | Phase 3 |
0.7257 | Intermediate Similarity | NPD5709 | Phase 3 |
0.7246 | Intermediate Similarity | NPD6667 | Approved |
0.7246 | Intermediate Similarity | NPD7124 | Phase 2 |
0.7246 | Intermediate Similarity | NPD6783 | Clinical (unspecified phase) |
0.7246 | Intermediate Similarity | NPD6666 | Approved |
0.724 | Intermediate Similarity | NPD2972 | Approved |
0.724 | Intermediate Similarity | NPD3533 | Approved |
0.7232 | Intermediate Similarity | NPD4166 | Phase 2 |
0.7229 | Intermediate Similarity | NPD5754 | Discontinued |
0.7219 | Intermediate Similarity | NPD3647 | Clinical (unspecified phase) |
0.7212 | Intermediate Similarity | NPD4257 | Approved |
0.7212 | Intermediate Similarity | NPD4256 | Phase 2 |
0.7209 | Intermediate Similarity | NPD6072 | Discontinued |
0.7202 | Intermediate Similarity | NPD7598 | Phase 2 |
0.7193 | Intermediate Similarity | NPD6523 | Clinical (unspecified phase) |
0.7191 | Intermediate Similarity | NPD6688 | Approved |
0.7191 | Intermediate Similarity | NPD6687 | Approved |
0.7186 | Intermediate Similarity | NPD5160 | Discontinued |
0.7182 | Intermediate Similarity | NPD7479 | Phase 2 |
0.7178 | Intermediate Similarity | NPD7718 | Clinical (unspecified phase) |
0.7176 | Intermediate Similarity | NPD4727 | Phase 1 |
0.7176 | Intermediate Similarity | NPD5976 | Discontinued |
0.7172 | Intermediate Similarity | NPD7827 | Phase 1 |
0.716 | Intermediate Similarity | NPD7447 | Phase 1 |
0.7135 | Intermediate Similarity | NPD6747 | Phase 1 |
0.7135 | Intermediate Similarity | NPD5087 | Clinical (unspecified phase) |
0.7127 | Intermediate Similarity | NPD4873 | Discontinued |
0.7127 | Intermediate Similarity | NPD5312 | Approved |
0.7127 | Intermediate Similarity | NPD5313 | Approved |
0.7126 | Intermediate Similarity | NPD6748 | Discontinued |
0.7126 | Intermediate Similarity | NPD5772 | Approved |
0.7126 | Intermediate Similarity | NPD5773 | Approved |
0.7124 | Intermediate Similarity | NPD2226 | Clinical (unspecified phase) |
0.712 | Intermediate Similarity | NPD4420 | Approved |
0.7118 | Intermediate Similarity | NPD5261 | Clinical (unspecified phase) |
0.7117 | Intermediate Similarity | NPD4579 | Clinical (unspecified phase) |
0.7108 | Intermediate Similarity | NPD7037 | Approved |
0.7102 | Intermediate Similarity | NPD5604 | Discontinued |
0.7101 | Intermediate Similarity | NPD7213 | Phase 3 |
0.7101 | Intermediate Similarity | NPD7212 | Phase 2 |
0.7099 | Intermediate Similarity | NPD2238 | Phase 2 |
0.7089 | Intermediate Similarity | NPD3053 | Approved |
0.7089 | Intermediate Similarity | NPD3055 | Approved |
0.7086 | Intermediate Similarity | NPD5977 | Approved |
0.7086 | Intermediate Similarity | NPD5978 | Approved |
0.7083 | Intermediate Similarity | NPD3692 | Discontinued |
0.7081 | Intermediate Similarity | NPD6812 | Clinical (unspecified phase) |
0.7078 | Intermediate Similarity | NPD4093 | Discontinued |
0.7076 | Intermediate Similarity | NPD1914 | Approved |
0.7076 | Intermediate Similarity | NPD2122 | Discontinued |
0.7074 | Intermediate Similarity | NPD6656 | Clinical (unspecified phase) |
0.707 | Intermediate Similarity | NPD1669 | Approved |
0.7066 | Intermediate Similarity | NPD4162 | Approved |
0.7065 | Intermediate Similarity | NPD7549 | Discontinued |
0.7062 | Intermediate Similarity | NPD7400 | Phase 3 |
0.7059 | Intermediate Similarity | NPD7907 | Approved |
0.7052 | Intermediate Similarity | NPD4675 | Approved |
0.7052 | Intermediate Similarity | NPD4678 | Approved |
0.7049 | Intermediate Similarity | NPD6996 | Clinical (unspecified phase) |
0.7047 | Intermediate Similarity | NPD6612 | Phase 2 |
0.7047 | Intermediate Similarity | NPD4107 | Approved |
0.7035 | Intermediate Similarity | NPD5676 | Approved |
0.7029 | Intermediate Similarity | NPD4585 | Approved |
0.7024 | Intermediate Similarity | NPD6331 | Phase 2 |
0.7022 | Intermediate Similarity | NPD5677 | Discontinued |
0.7013 | Intermediate Similarity | NPD5303 | Approved |
0.7013 | Intermediate Similarity | NPD5304 | Approved |
0.7012 | Intermediate Similarity | NPD823 | Approved |
PubChem CID   | 248507 |
ChEMBL   | CHEMBL1321247 |
ZINC   |
Molecular Weight:   | 327.15 |
ALogP:   | -0.6295 |
MLogP:   | 3 |
XLogP:   | 1.199 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 62.16 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 2 |
# Rings:   | 4 |
# Heavy Atoms:   | 24 |