SCHEMBL9250993

SCHEMBL9250993

N=C(N)c1ccc(-c2ccc(-n3cnc(CCC(=O)O)c3)c(Br)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.38
ITGA2B P08514 9/20 0.38
F10 P00742 5/20 0.38
F2 P00734 4/20 0.38
PRSS1 P07477 3/20 0.38
TMPRSS15 P98073 1/20 0.33
ADH5 P11766 1/20 0.33
CYP2C19 P33261 1/20 0.33
WDR5 P61964 1/20 0.33
F9 P00740 1/20 0.33
NQO2 P16083 1/20 0.33

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
SCHEMBL9256201 0.88 TMPRSS15 (0.35) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9247247 0.86 ITGB3 (0.37) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9255393 0.84 ITGB3 (0.38) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9257847 0.83 ITGB3 (0.49) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9247108 0.83 ITGB3 (0.35) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9257511 0.81 ITGB3 (0.41) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9256993 0.80 ITGB3 (0.40) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9568440 0.76 ITGB3 (0.39) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9252503 0.75 TMPRSS15 (0.35) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9254757 0.75 ITGB3 (0.36) ITGB3ITGA2BF10F2PRSS1

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