SCHEMBL9254897

SCHEMBL9254897

N=C(N)c1ccc(-c2ccc(-n3cc(CCC(=O)O)nn3)nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.45
ITGA2B P08514 14/20 0.45
PRSS1 P07477 1/20 0.39
TMPRSS15 P98073 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ITGB2 P05107 1/20 0.35
ITGAM P11215 1/20 0.35

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
SCHEMBL9250591 0.88 MIF (0.43) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9568440 0.82 ITGB3 (0.39) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9251266 0.80 ITGB3 (0.40) ITGB3ITGA2BPRSS1TMPRSS15ITGB2
SCHEMBL9247213 0.80 ITGB3 (0.39) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9257188 0.79 NQO2 (0.38) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9250761 0.78 F2 (0.40) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9255129 0.78 ITGB3 (0.36) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9253978 0.76 ITGB3 (0.37) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9250967 0.75 MAP4K4 (0.41) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9248487 0.75 AGER (0.38) ITGB3ITGA2B

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