SCHEMBL9257715

SCHEMBL9257715

COC(=O)CN(C(C)=O)c1ccc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
F2 P00734 4/20 0.33
F10 P00742 3/20 0.33
TMPRSS15 P98073 2/20 0.33
GSTO1 P78417 1/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
PLG P00747 2/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
F7 P08709 1/20 0.32
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9250640 0.89 NQO2 (0.39) NQO2ITGB3ITGA2BF2
SCHEMBL9568477 0.88 TMPRSS15 (0.38) NQO2ITGB3ITGA2BF2F10
SCHEMBL9251548 0.85 ADORA2A (0.35) NQO2ITGB3ITGA2BF2F10
SCHEMBL9251411 0.85 ADORA2A (0.38) NQO2ITGB3ITGA2BF2F10
SCHEMBL9259308 0.81 L3MBTL1 (0.36) NQO2ITGB3ITGA2B
SCHEMBL9253478 0.79 KLK1 (0.38) NQO2ITGB3ITGA2BF2F10
SCHEMBL9568559 0.79 F2 (0.41) ITGB3ITGA2BF2F10TMPRSS15
SCHEMBL9257084 0.79 F2 (0.41) ITGB3ITGA2BF2F10TMPRSS15
Hydrochloric Acid SCHEMBL9254356 0.78 F2 (0.40) ITGB3ITGA2BF2F10TMPRSS15
SCHEMBL9259667 0.78 ITGB3 (0.39) NQO2ITGB3ITGA2BPLAU

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed