Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO11391 | Polygonum cuspidatum | Species | Polygonaceae | Eukaryota | Roots |
PMID[11459643] |
||
NPO29648 | Cassiae semen | NA | NA | NA | TCMSP* | |||
NPO29836 | Cassia obtusifolia | Species | Fabaceae | Eukaryota | TCM_Taiwan* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT319 | Cell Line | B16 | Mus musculus | IC50 | > | 30 | ug/ml | 11354370 |
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | > | 30 | ug/ml | 11354370 |
NPT762 | Cell Line | A-431 | Homo sapiens | IC50 | > | 30 | ug/ml | 11354370 |
NPT138 | Organism | Brugia malayi | Brugia malayi | Mortality | = | 10 | % | 15828820 |
NPT878 | Organism | Streptococcus mutans | Streptococcus mutans | MIC | = | 250 | ug/ml | 17220400 |
NPT878 | Organism | Streptococcus mutans | Streptococcus mutans | Inhibition | = | 80 | % | 17220400 |
NPT2 | Others | Unspecified | Activity | > | 0.25 | ug/ml | 2213033 | |
NPT80 | Cell Line | Raji | Homo sapiens | Activity | > | 80 | % | 2558164 |
NPT80 | Cell Line | Raji | Homo sapiens | Activity | = | 70 | % | 2558164 |
NPT2 | Others | Unspecified | Inhibition | = | 100 | % | 2558164 | |
NPT2 | Others | Unspecified | Inhibition | = | 89.5 | % | 2558164 | |
NPT3266 | Individual Protein | Casein kinase I delta | Homo sapiens | IC50 | > | 40000 | nM | 18799313 |
NPT1684 | Individual Protein | Casein kinase I gamma 1 | Homo sapiens | IC50 | > | 40000 | nM | 18799313 |
NPT3168 | Individual Protein | Casein kinase I alpha | Homo sapiens | IC50 | > | 40000 | nM | 18799313 |
NPT2 | Others | Unspecified | Activity | = | 833 | % | 20005021 | |
NPT35 | Others | n.a. | Activity | = | 205 | % | 20005021 | |
NPT2 | Others | Unspecified | Activity | = | 30 | uL | 20005021 | |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 12589.3 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 14125.4 | nM | PubChem BioAssay data set |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 79432.8 | nM | PubChem BioAssay data set |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 1995.3 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 2818.4 | nM | PubChem BioAssay data set | |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | IC50 | > | 200000 | nM | 21106380 |
NPT3022 | Individual Protein | Thioredoxin reductase 2, mitochondrial | Rattus norvegicus | IC50 | > | 200000 | nM | 21106380 |
NPT533 | Protein-Protein Interaction | Runt-related transcription factor 1/Core-binding factor subunit beta | Homo sapiens | Potency | 12589.3 | nM | PubChem BioAssay data set | |
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | 44668.4 | nM | PubChem BioAssay data set | |
NPT901 | Individual Protein | UDP-glucuronosyltransferase 1-1 | Homo sapiens | Activity | = | 17 | pm/min/mg | 10836148 |
NPT901 | Individual Protein | UDP-glucuronosyltransferase 1-1 | Homo sapiens | Activity | = | 0 | pm/min/mg | 10836148 |
NPT902 | Individual Protein | UDP-glucuronosyltransferase 1A4 | Homo sapiens | Activity | = | 0 | pm/min/mg | 10836148 |
NPT702 | Individual Protein | UDP-glucuronosyltransferase 1-6 | Homo sapiens | Activity | = | 0 | pm/min/mg | 10836148 |
NPT703 | Individual Protein | UDP-glucuronosyltransferase 1-9 | Homo sapiens | Activity | = | 40 | pm/min/mg | 10836148 |
NPT704 | Individual Protein | UDP-glucuronosyltransferase 2B15 | Homo sapiens | Activity | = | 0 | pm/min/mg | 10836148 |
NPT368 | Cell Line | SN12C | 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 | 59020.11 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 63095.73 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 29241.52 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 51999.6 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 100000 | 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 | |
NPT572 | Cell Line | DMS-273 | Homo sapiens | GI50 | 100000 | 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 | 93756.2 | nM | PubChem BioAssay data set | |
NPT573 | Cell Line | M19-MEL | Homo sapiens | GI50 | 21827.3 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 60534.09 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT574 | Cell Line | XF498 | 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 | 90991.33 | 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 | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 79799.47 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 81096.11 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 81283.05 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 100000 | 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 | 58748.94 | nM | PubChem BioAssay data set | |
NPT731 | Cell Line | LXFL 529 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT576 | Cell Line | DMS-114 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 40831.94 | 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 | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT577 | Cell Line | RXF 631 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT578 | Cell Line | SNB-78 | 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 | |
NPT579 | Cell Line | DLD-1 | Homo sapiens | GI50 | 61944.11 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 45289.76 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 100000 | nM | PubChem BioAssay data set | |
NPT317 | Uncleic Acid | Nucleic Acid | Ratio | = | 5 | 21531052 | ||
NPT317 | Uncleic Acid | Nucleic Acid | Kb | = | 3.2 | 10'7/M | 21531052 | |
NPT317 | Uncleic Acid | Nucleic Acid | Kb | = | 1.66 | 10'4/M | 21531052 | |
NPT2 | Others | Unspecified | Potency | 68589.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 1096.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 61644.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 19331.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 3063.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 7760.6 | nM | PubChem BioAssay data set | ||
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 2730.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 7695.9 | nM | PubChem BioAssay data set | ||
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | 27535.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 6859 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 19493.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 54482.7 | nM | PubChem BioAssay data set | ||
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 30895.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 24541.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 15.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 38570.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 21689.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 6113.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 10870.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 21872.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 48557.7 | nM | PubChem BioAssay data set | ||
NPT323 | Cell Line | SW-620 | Homo sapiens | Activity | = | 21.1 | % | 24657570 |
NPT2 | Others | Unspecified | Activity | = | 12.3 | % | 24657570 | |
NPT2 | Others | Unspecified | Activity | = | 38.4 | % | 24657570 | |
NPT2 | Others | Unspecified | Activity | = | 48.6 | % | 24657570 | |
NPT65 | Cell Line | HepG2 | Homo sapiens | Activity | = | 5.6 | % | 24657570 |
NPT2 | Others | Unspecified | IC50 | > | 10000 | nM | 24657570 | |
NPT2 | Others | Unspecified | Potency | 27306 | 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 NPC96915 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 |
---|---|---|
0.9748 | High Similarity | NPC375356 |
0.9664 | High Similarity | NPC300274 |
0.9597 | High Similarity | NPC205992 |
0.9587 | High Similarity | NPC103540 |
0.936 | High Similarity | NPC136588 |
0.936 | High Similarity | NPC199253 |
0.9355 | High Similarity | NPC282923 |
0.935 | High Similarity | NPC306765 |
0.9344 | High Similarity | NPC142956 |
0.928 | High Similarity | NPC99731 |
0.9225 | High Similarity | NPC155211 |
0.9225 | High Similarity | NPC272268 |
0.9225 | High Similarity | NPC474813 |
0.9213 | High Similarity | NPC70622 |
0.92 | High Similarity | NPC48248 |
0.9194 | High Similarity | NPC3224 |
0.9167 | High Similarity | NPC232178 |
0.9154 | High Similarity | NPC245923 |
0.9141 | High Similarity | NPC52407 |
0.9127 | High Similarity | NPC34414 |
0.9127 | High Similarity | NPC146647 |
0.912 | High Similarity | NPC471530 |
0.9091 | High Similarity | NPC285829 |
0.9091 | High Similarity | NPC206778 |
0.907 | High Similarity | NPC288089 |
0.9055 | High Similarity | NPC31539 |
0.9055 | High Similarity | NPC55949 |
0.9055 | High Similarity | NPC31799 |
0.9032 | High Similarity | NPC310540 |
0.9032 | High Similarity | NPC173978 |
0.9024 | High Similarity | NPC91478 |
0.9024 | High Similarity | NPC307174 |
0.9008 | High Similarity | NPC147418 |
0.8992 | High Similarity | NPC115458 |
0.8992 | High Similarity | NPC225051 |
0.8992 | High Similarity | NPC294226 |
0.8984 | High Similarity | NPC244699 |
0.8943 | High Similarity | NPC120545 |
0.8923 | High Similarity | NPC44437 |
0.8917 | High Similarity | NPC108288 |
0.8915 | High Similarity | NPC242358 |
0.8915 | High Similarity | NPC110609 |
0.8915 | High Similarity | NPC246693 |
0.8889 | High Similarity | NPC1991 |
0.8889 | High Similarity | NPC231774 |
0.8881 | High Similarity | NPC124365 |
0.888 | High Similarity | NPC234890 |
0.888 | High Similarity | NPC74507 |
0.8872 | High Similarity | NPC143438 |
0.8864 | High Similarity | NPC305060 |
0.8855 | High Similarity | NPC283088 |
0.8855 | High Similarity | NPC80035 |
0.8846 | High Similarity | NPC53896 |
0.8833 | High Similarity | NPC240163 |
0.8828 | High Similarity | NPC278928 |
0.8788 | High Similarity | NPC141934 |
0.8788 | High Similarity | NPC193358 |
0.878 | High Similarity | NPC7151 |
0.878 | High Similarity | NPC473662 |
0.878 | High Similarity | NPC216297 |
0.8779 | High Similarity | NPC50924 |
0.8769 | High Similarity | NPC58685 |
0.875 | High Similarity | NPC237225 |
0.875 | High Similarity | NPC238629 |
0.873 | High Similarity | NPC152525 |
0.873 | High Similarity | NPC68756 |
0.8722 | High Similarity | NPC53206 |
0.8722 | High Similarity | NPC53414 |
0.8712 | High Similarity | NPC258502 |
0.8712 | High Similarity | NPC22222 |
0.8712 | High Similarity | NPC281513 |
0.8712 | High Similarity | NPC161632 |
0.871 | High Similarity | NPC472046 |
0.8702 | High Similarity | NPC314048 |
0.8702 | High Similarity | NPC171968 |
0.8692 | High Similarity | NPC93015 |
0.8692 | High Similarity | NPC85342 |
0.8689 | High Similarity | NPC269414 |
0.8678 | High Similarity | NPC161304 |
0.8676 | High Similarity | NPC474300 |
0.8657 | High Similarity | NPC13715 |
0.8657 | High Similarity | NPC416 |
0.8657 | High Similarity | NPC4214 |
0.8657 | High Similarity | NPC61398 |
0.8651 | High Similarity | NPC477153 |
0.8647 | High Similarity | NPC254847 |
0.8647 | High Similarity | NPC472308 |
0.8623 | High Similarity | NPC471683 |
0.8615 | High Similarity | NPC198305 |
0.8615 | High Similarity | NPC475741 |
0.8613 | High Similarity | NPC476473 |
0.8607 | High Similarity | NPC477453 |
0.8605 | High Similarity | NPC234175 |
0.8594 | High Similarity | NPC227741 |
0.8594 | High Similarity | NPC160499 |
0.8594 | High Similarity | NPC136342 |
0.8594 | High Similarity | NPC51037 |
0.8594 | High Similarity | NPC49647 |
0.8594 | High Similarity | NPC295202 |
0.8593 | High Similarity | NPC190457 |
0.8593 | High Similarity | NPC242994 |
0.8593 | High Similarity | NPC26924 |
0.8593 | High Similarity | NPC1268 |
0.8593 | High Similarity | NPC138099 |
0.8583 | High Similarity | NPC236189 |
0.8582 | High Similarity | NPC471905 |
0.8571 | High Similarity | NPC283514 |
0.8561 | High Similarity | NPC300540 |
0.855 | High Similarity | NPC474517 |
0.855 | High Similarity | NPC72669 |
0.855 | High Similarity | NPC141549 |
0.854 | High Similarity | NPC257644 |
0.8529 | High Similarity | NPC181560 |
0.8529 | High Similarity | NPC169452 |
0.8529 | High Similarity | NPC225243 |
0.8529 | High Similarity | NPC315578 |
0.8529 | High Similarity | NPC203063 |
0.8529 | High Similarity | NPC96421 |
0.8516 | High Similarity | NPC131799 |
0.8496 | Intermediate Similarity | NPC287604 |
0.8496 | Intermediate Similarity | NPC472262 |
0.8496 | Intermediate Similarity | NPC161964 |
0.8492 | Intermediate Similarity | NPC198336 |
0.8478 | Intermediate Similarity | NPC471682 |
0.8473 | Intermediate Similarity | NPC278787 |
0.8473 | Intermediate Similarity | NPC117609 |
0.8468 | Intermediate Similarity | NPC41567 |
0.8467 | Intermediate Similarity | NPC187843 |
0.8467 | Intermediate Similarity | NPC290550 |
0.8462 | Intermediate Similarity | NPC95537 |
0.8456 | Intermediate Similarity | NPC216312 |
0.8456 | Intermediate Similarity | NPC29771 |
0.8456 | Intermediate Similarity | NPC256463 |
0.8456 | Intermediate Similarity | NPC471602 |
0.8456 | Intermediate Similarity | NPC306835 |
0.8456 | Intermediate Similarity | NPC111422 |
0.8456 | Intermediate Similarity | NPC476477 |
0.8456 | Intermediate Similarity | NPC299405 |
0.8425 | Intermediate Similarity | NPC244351 |
0.8421 | Intermediate Similarity | NPC267205 |
0.8417 | Intermediate Similarity | NPC10764 |
0.8406 | Intermediate Similarity | NPC69755 |
0.8406 | Intermediate Similarity | NPC73061 |
0.8406 | Intermediate Similarity | NPC239136 |
0.8406 | Intermediate Similarity | NPC19631 |
0.8406 | Intermediate Similarity | NPC193555 |
0.8394 | Intermediate Similarity | NPC220496 |
0.8394 | Intermediate Similarity | NPC42262 |
0.8394 | Intermediate Similarity | NPC241349 |
0.8394 | Intermediate Similarity | NPC37992 |
0.8394 | Intermediate Similarity | NPC327916 |
0.8394 | Intermediate Similarity | NPC147542 |
0.8394 | Intermediate Similarity | NPC32749 |
0.8394 | Intermediate Similarity | NPC183345 |
0.8385 | Intermediate Similarity | NPC45537 |
0.8382 | Intermediate Similarity | NPC173980 |
0.8382 | Intermediate Similarity | NPC206207 |
0.8359 | Intermediate Similarity | NPC275145 |
0.8359 | Intermediate Similarity | NPC135062 |
0.8358 | Intermediate Similarity | NPC282780 |
0.8358 | Intermediate Similarity | NPC166480 |
0.8346 | Intermediate Similarity | NPC309430 |
0.8345 | Intermediate Similarity | NPC66593 |
0.8333 | Intermediate Similarity | NPC108129 |
0.8333 | Intermediate Similarity | NPC204045 |
0.8333 | Intermediate Similarity | NPC471444 |
0.8333 | Intermediate Similarity | NPC7569 |
0.8333 | Intermediate Similarity | NPC246638 |
0.8333 | Intermediate Similarity | NPC305845 |
0.8333 | Intermediate Similarity | NPC257003 |
0.8333 | Intermediate Similarity | NPC477275 |
0.8322 | Intermediate Similarity | NPC315520 |
0.8321 | Intermediate Similarity | NPC767 |
0.8321 | Intermediate Similarity | NPC96024 |
0.8321 | Intermediate Similarity | NPC165257 |
0.8321 | Intermediate Similarity | NPC114620 |
0.8321 | Intermediate Similarity | NPC103337 |
0.8321 | Intermediate Similarity | NPC247250 |
0.8319 | Intermediate Similarity | NPC141523 |
0.8308 | Intermediate Similarity | NPC8745 |
0.8306 | Intermediate Similarity | NPC312800 |
0.8298 | Intermediate Similarity | NPC147250 |
0.8293 | Intermediate Similarity | NPC163154 |
0.8286 | Intermediate Similarity | NPC244691 |
0.8286 | Intermediate Similarity | NPC79627 |
0.8286 | Intermediate Similarity | NPC193703 |
0.8286 | Intermediate Similarity | NPC21599 |
0.8286 | Intermediate Similarity | NPC471906 |
0.8273 | Intermediate Similarity | NPC469520 |
0.8273 | Intermediate Similarity | NPC135524 |
0.8271 | Intermediate Similarity | NPC17083 |
0.8271 | Intermediate Similarity | NPC205360 |
0.8258 | Intermediate Similarity | NPC25736 |
0.8258 | Intermediate Similarity | NPC57552 |
0.8258 | Intermediate Similarity | NPC276238 |
0.8254 | Intermediate Similarity | NPC184579 |
0.8254 | Intermediate Similarity | NPC233165 |
0.825 | Intermediate Similarity | NPC224584 |
0.8248 | Intermediate Similarity | NPC61590 |
0.8244 | Intermediate Similarity | NPC84672 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC96915 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 |
---|---|---|---|
0.9587 | High Similarity | NPD1470 | Approved |
0.9256 | High Similarity | NPD1201 | Approved |
0.8917 | High Similarity | NPD405 | Clinical (unspecified phase) |
0.8647 | High Similarity | NPD1509 | Clinical (unspecified phase) |
0.8175 | Intermediate Similarity | NPD5404 | Approved |
0.8175 | Intermediate Similarity | NPD5405 | Approved |
0.8175 | Intermediate Similarity | NPD5406 | Approved |
0.8175 | Intermediate Similarity | NPD5408 | Approved |
0.8116 | Intermediate Similarity | NPD2346 | Discontinued |
0.8 | Intermediate Similarity | NPD3226 | Approved |
0.7958 | Intermediate Similarity | NPD3300 | Phase 2 |
0.7955 | Intermediate Similarity | NPD1164 | Approved |
0.7941 | Intermediate Similarity | NPD943 | Approved |
0.7914 | Intermediate Similarity | NPD2935 | Discontinued |
0.7902 | Intermediate Similarity | NPD7390 | Discontinued |
0.7794 | Intermediate Similarity | NPD2313 | Discontinued |
0.7769 | Intermediate Similarity | NPD3019 | Approved |
0.7724 | Intermediate Similarity | NPD7422 | Clinical (unspecified phase) |
0.7714 | Intermediate Similarity | NPD651 | Clinical (unspecified phase) |
0.7664 | Intermediate Similarity | NPD3764 | Approved |
0.7661 | Intermediate Similarity | NPD9266 | Approved |
0.7661 | Intermediate Similarity | NPD74 | Approved |
0.7634 | Intermediate Similarity | NPD2932 | Approved |
0.763 | Intermediate Similarity | NPD2798 | Approved |
0.7589 | Intermediate Similarity | NPD3299 | Clinical (unspecified phase) |
0.7581 | Intermediate Similarity | NPD9263 | Approved |
0.7581 | Intermediate Similarity | NPD9264 | Approved |
0.7581 | Intermediate Similarity | NPD9267 | Approved |
0.7581 | Intermediate Similarity | NPD2342 | Discontinued |
0.7559 | Intermediate Similarity | NPD7635 | Approved |
0.7483 | Intermediate Similarity | NPD2344 | Approved |
0.7465 | Intermediate Similarity | NPD2799 | Discontinued |
0.7465 | Intermediate Similarity | NPD1510 | Phase 2 |
0.7462 | Intermediate Similarity | NPD9493 | Approved |
0.7442 | Intermediate Similarity | NPD5951 | Approved |
0.7426 | Intermediate Similarity | NPD1203 | Approved |
0.7388 | Intermediate Similarity | NPD1547 | Clinical (unspecified phase) |
0.7377 | Intermediate Similarity | NPD289 | Clinical (unspecified phase) |
0.7361 | Intermediate Similarity | NPD1471 | Phase 3 |
0.7325 | Intermediate Similarity | NPD6232 | Discontinued |
0.7324 | Intermediate Similarity | NPD1607 | Approved |
0.7313 | Intermediate Similarity | NPD3026 | Approved |
0.7313 | Intermediate Similarity | NPD3023 | Approved |
0.7308 | Intermediate Similarity | NPD9281 | Approved |
0.7305 | Intermediate Similarity | NPD1240 | Approved |
0.7296 | Intermediate Similarity | NPD7473 | Discontinued |
0.7293 | Intermediate Similarity | NPD3025 | Approved |
0.7293 | Intermediate Similarity | NPD4196 | Clinical (unspecified phase) |
0.7293 | Intermediate Similarity | NPD3024 | Approved |
0.7279 | Intermediate Similarity | NPD2309 | Approved |
0.7258 | Intermediate Similarity | NPD9261 | Approved |
0.7211 | Intermediate Similarity | NPD3750 | Approved |
0.7211 | Intermediate Similarity | NPD7003 | Approved |
0.7206 | Intermediate Similarity | NPD4878 | Approved |
0.72 | Intermediate Similarity | NPD1237 | Approved |
0.7192 | Intermediate Similarity | NPD1549 | Phase 2 |
0.7181 | Intermediate Similarity | NPD1511 | Approved |
0.7176 | Intermediate Similarity | NPD497 | Approved |
0.7171 | Intermediate Similarity | NPD5808 | Clinical (unspecified phase) |
0.7133 | Intermediate Similarity | NPD447 | Suspended |
0.7133 | Intermediate Similarity | NPD4378 | Clinical (unspecified phase) |
0.7131 | Intermediate Similarity | NPD288 | Approved |
0.7123 | Intermediate Similarity | NPD1550 | Clinical (unspecified phase) |
0.7123 | Intermediate Similarity | NPD1552 | Clinical (unspecified phase) |
0.7111 | Intermediate Similarity | NPD7163 | Clinical (unspecified phase) |
0.7101 | Intermediate Similarity | NPD1283 | Approved |
0.7101 | Intermediate Similarity | NPD1876 | Approved |
0.7099 | Intermediate Similarity | NPD495 | Approved |
0.7099 | Intermediate Similarity | NPD496 | Approved |
0.7099 | Intermediate Similarity | NPD498 | Approved |
0.7097 | Intermediate Similarity | NPD7819 | Suspended |
0.7097 | Intermediate Similarity | NPD2801 | Approved |
0.7086 | Intermediate Similarity | NPD1512 | Approved |
0.708 | Intermediate Similarity | NPD9717 | Approved |
0.7075 | Intermediate Similarity | NPD970 | Clinical (unspecified phase) |
0.707 | Intermediate Similarity | NPD3749 | Approved |
0.7055 | Intermediate Similarity | NPD1551 | Phase 2 |
0.7049 | Intermediate Similarity | NPD844 | Approved |
0.7044 | Intermediate Similarity | NPD6959 | Discontinued |
0.7042 | Intermediate Similarity | NPD411 | Approved |
0.704 | Intermediate Similarity | NPD1932 | Approved |
0.7037 | Intermediate Similarity | NPD1651 | Approved |
0.7032 | Intermediate Similarity | NPD6844 | Discontinued |
0.7031 | Intermediate Similarity | NPD9265 | Clinical (unspecified phase) |
0.702 | Intermediate Similarity | NPD7410 | Clinical (unspecified phase) |
0.7013 | Intermediate Similarity | NPD4380 | Phase 2 |
0.7007 | Intermediate Similarity | NPD2343 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD7879 | Clinical (unspecified phase) |
0.6993 | Remote Similarity | NPD6663 | Approved |
0.6988 | Remote Similarity | NPD8312 | Approved |
0.6988 | Remote Similarity | NPD8313 | Approved |
0.6987 | Remote Similarity | NPD2393 | Clinical (unspecified phase) |
0.6986 | Remote Similarity | NPD4308 | Phase 3 |
0.6984 | Remote Similarity | NPD1929 | Approved |
0.6984 | Remote Similarity | NPD1931 | Clinical (unspecified phase) |
0.6984 | Remote Similarity | NPD1930 | Approved |
0.6982 | Remote Similarity | NPD8397 | Clinical (unspecified phase) |
0.698 | Remote Similarity | NPD8166 | Discontinued |
0.698 | Remote Similarity | NPD1878 | Clinical (unspecified phase) |
0.6964 | Remote Similarity | NPD8150 | Discontinued |
0.695 | Remote Similarity | NPD5736 | Approved |
0.6947 | Remote Similarity | NPD1609 | Clinical (unspecified phase) |
0.6943 | Remote Similarity | NPD5402 | Approved |
0.6923 | Remote Similarity | NPD1934 | Approved |
0.6913 | Remote Similarity | NPD7421 | Clinical (unspecified phase) |
0.6908 | Remote Similarity | NPD2532 | Approved |
0.6908 | Remote Similarity | NPD2534 | Approved |
0.6908 | Remote Similarity | NPD2533 | Approved |
0.6897 | Remote Similarity | NPD1899 | Clinical (unspecified phase) |
0.6884 | Remote Similarity | NPD1611 | Approved |
0.6884 | Remote Similarity | NPD1281 | Approved |
0.688 | Remote Similarity | NPD3020 | Approved |
0.6875 | Remote Similarity | NPD520 | Approved |
0.6871 | Remote Similarity | NPD3748 | Approved |
0.6867 | Remote Similarity | NPD5027 | Approved |
0.6867 | Remote Similarity | NPD5031 | Approved |
0.6867 | Remote Similarity | NPD5029 | Approved |
0.6863 | Remote Similarity | NPD6273 | Approved |
0.6861 | Remote Similarity | NPD2286 | Discontinued |
0.686 | Remote Similarity | NPD6214 | Clinical (unspecified phase) |
0.686 | Remote Similarity | NPD6212 | Phase 3 |
0.686 | Remote Similarity | NPD6213 | Phase 3 |
0.6853 | Remote Similarity | NPD5952 | Clinical (unspecified phase) |
0.6846 | Remote Similarity | NPD6831 | Clinical (unspecified phase) |
0.6839 | Remote Similarity | NPD7458 | Discontinued |
0.6838 | Remote Similarity | NPD3091 | Approved |
0.6835 | Remote Similarity | NPD1481 | Phase 2 |
0.6835 | Remote Similarity | NPD9269 | Phase 2 |
0.6835 | Remote Similarity | NPD8443 | Clinical (unspecified phase) |
0.6835 | Remote Similarity | NPD3972 | Approved |
0.6826 | Remote Similarity | NPD5026 | Approved |
0.6826 | Remote Similarity | NPD4954 | Approved |
0.6826 | Remote Similarity | NPD5034 | Approved |
0.6826 | Remote Similarity | NPD5028 | Approved |
0.6826 | Remote Similarity | NPD36 | Approved |
0.6826 | Remote Similarity | NPD4955 | Approved |
0.6821 | Remote Similarity | NPD6534 | Approved |
0.6821 | Remote Similarity | NPD6535 | Approved |
0.6812 | Remote Similarity | NPD4879 | Approved |
0.6809 | Remote Similarity | NPD2797 | Approved |
0.6806 | Remote Similarity | NPD3268 | Approved |
0.6797 | Remote Similarity | NPD164 | Approved |
0.6794 | Remote Similarity | NPD3021 | Approved |
0.6794 | Remote Similarity | NPD3022 | Approved |
0.6792 | Remote Similarity | NPD7768 | Phase 2 |
0.6788 | Remote Similarity | NPD5844 | Phase 1 |
0.6788 | Remote Similarity | NPD9268 | Approved |
0.6786 | Remote Similarity | NPD1755 | Approved |
0.6783 | Remote Similarity | NPD6832 | Phase 2 |
0.6774 | Remote Similarity | NPD2860 | Approved |
0.6774 | Remote Similarity | NPD2859 | Approved |
0.677 | Remote Similarity | NPD5494 | Approved |
0.6766 | Remote Similarity | NPD5030 | Phase 2 |
0.6763 | Remote Similarity | NPD1535 | Discovery |
0.6752 | Remote Similarity | NPD7411 | Suspended |
0.6748 | Remote Similarity | NPD845 | Approved |
0.6748 | Remote Similarity | NPD1202 | Approved |
0.6739 | Remote Similarity | NPD4059 | Approved |
0.6739 | Remote Similarity | NPD4626 | Approved |
0.6736 | Remote Similarity | NPD7008 | Discontinued |
0.673 | Remote Similarity | NPD2296 | Approved |
0.673 | Remote Similarity | NPD8438 | Clinical (unspecified phase) |
0.6723 | Remote Similarity | NPD6780 | Approved |
0.6723 | Remote Similarity | NPD6782 | Approved |
0.6723 | Remote Similarity | NPD6778 | Approved |
0.6723 | Remote Similarity | NPD6776 | Approved |
0.6723 | Remote Similarity | NPD6781 | Approved |
0.6723 | Remote Similarity | NPD6777 | Approved |
0.6723 | Remote Similarity | NPD6779 | Approved |
0.6718 | Remote Similarity | NPD2329 | Discontinued |
0.6715 | Remote Similarity | NPD9545 | Approved |
0.6714 | Remote Similarity | NPD1608 | Approved |
0.6712 | Remote Similarity | NPD4307 | Phase 2 |
0.6711 | Remote Similarity | NPD2796 | Approved |
0.6705 | Remote Similarity | NPD7700 | Phase 2 |
0.6705 | Remote Similarity | NPD7699 | Phase 2 |
0.6694 | Remote Similarity | NPD2934 | Approved |
0.6694 | Remote Similarity | NPD688 | Clinical (unspecified phase) |
0.6694 | Remote Similarity | NPD2933 | Approved |
0.669 | Remote Similarity | NPD3094 | Phase 2 |
0.6689 | Remote Similarity | NPD2800 | Approved |
0.6687 | Remote Similarity | NPD3882 | Suspended |
0.6667 | Remote Similarity | NPD4093 | Discontinued |
0.6667 | Remote Similarity | NPD5037 | Approved |
0.6667 | Remote Similarity | NPD3600 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD5038 | Approved |
0.6667 | Remote Similarity | NPD1465 | Phase 2 |
0.6667 | Remote Similarity | NPD4750 | Phase 3 |
0.6667 | Remote Similarity | NPD6884 | Clinical (unspecified phase) |
0.6646 | Remote Similarity | NPD4381 | Clinical (unspecified phase) |
0.6646 | Remote Similarity | NPD7075 | Discontinued |
0.6645 | Remote Similarity | NPD1196 | Approved |
0.6645 | Remote Similarity | NPD6398 | Clinical (unspecified phase) |
0.6643 | Remote Similarity | NPD3092 | Approved |
0.6639 | Remote Similarity | NPD9256 | Approved |
0.6639 | Remote Similarity | NPD9258 | Approved |
0.6627 | Remote Similarity | NPD3818 | Discontinued |
0.6627 | Remote Similarity | NPD3751 | Discontinued |
0.6623 | Remote Similarity | NPD1543 | Discontinued |
0.6619 | Remote Similarity | NPD3095 | Discontinued |
PubChem CID   | 6688 |
ChEMBL   | CHEMBL17594 |
ZINC   |
Molecular Weight:   | 240.04 |
ALogP:   | -1.4482 |
MLogP:   | 2.56 |
XLogP:   | 1.726 |
# Rotatable Bonds:   | 2 |
Polar Surface Area:   | 74.6 |
# H-Bond Aceptor:   | 2 |
# H-Bond Donor:   | 2 |
# Rings:   | 3 |
# Heavy Atoms:   | 18 |