SCHEMBL9257438

SCHEMBL9257438

N=C(N)c1ccc(-c2ccc(-c3nnc(CCC(=O)O)s3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.46
ITGA2B P08514 6/20 0.46
PRSS1 P07477 2/20 0.44
TMPRSS15 P98073 1/20 0.44
CSNK2A2 P19784 2/20 0.43
CSNK2A1 P68400 2/20 0.43
CSNK2B P67870 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
WDR5 P61964 1/20 0.41
NQO2 P16083 3/20 0.41
FFAR1 O14842 2/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PRSS2 P07478 1/20 0.39
C1S P09871 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL9250114 0.86 ITGB3 (0.58) ITGB3ITGA2BPRSS1TMPRSS15CSNK2A2
SCHEMBL9252063 0.86 S1PR1 (0.45) ITGB3ITGA2B
SCHEMBL9254531 0.85 TMPRSS15 (0.43) ITGB3ITGA2BPRSS1TMPRSS15CSNK2A2
SCHEMBL9251513 0.83 S1PR1 (0.44) ITGB3ITGA2BPRSS1TMPRSS15FFAR1
SCHEMBL9257176 0.82 CSNK2A2 (0.43) ITGB3ITGA2BPRSS1TMPRSS15CSNK2A2
SCHEMBL24073031 0.79 GLS (0.48) CSNK2A2CSNK2A1HDAC6
SCHEMBL9247290 0.79 TMPRSS15 (0.35) ITGB3ITGA2BTMPRSS15CSNK2A2CSNK2A1
SCHEMBL9250705 0.76 ITGB3 (0.50) ITGB3ITGA2BPRSS1TMPRSS15HDAC6
SCHEMBL9254086 0.76 F2 (0.39) ITGB3ITGA2BPRSS1CSNK2A2CSNK2A1
SCHEMBL1566839 0.76 KDM4E (0.53) CSNK2A2CSNK2A1FFAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP claimed
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