SCHEMBL9255778

SCHEMBL9255778

N=C(N)c1ccc(-c2c[nH]c(-c3ccc(CCC(=O)O)c(N)c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.37
ITGA2B P08514 11/20 0.37
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
F10 P00742 2/20 0.34
PRSS1 P07477 1/20 0.34
TMPRSS15 P98073 1/20 0.34
CHEK2 O96017 1/20 0.34
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
SCHEMBL9254490 0.89 F10 (0.38) ITGB3ITGA2BF10
SCHEMBL9251429 0.88 TMPRSS15 (0.36) ITGB3ITGA2BF10PRSS1TMPRSS15
SCHEMBL9255039 0.86 S1PR1 (0.43) ITGB3ITGA2BF10
SCHEMBL9254911 0.86 F7 (0.37) ITGB3ITGA2BF10PRSS1NQO2
SCHEMBL9258892 0.84 ITGB3 (0.39) ITGB3ITGA2BHPGDCYP2C19F10
SCHEMBL9256974 0.83 ITGB3 (0.51) ITGB3ITGA2BF10PRSS1TMPRSS15
SCHEMBL9253132 0.83 ITGB3 (0.51) ITGB3ITGA2BF10PRSS1TMPRSS15
SCHEMBL9254909 0.83 ITGB3 (0.45) ITGB3ITGA2BF10PRSS1
SCHEMBL9253735 0.83 F10 (0.38) ITGB3ITGA2BF10PRSS1
SCHEMBL9258365 0.81 NQO2 (0.38) ITGB3ITGA2BPRSS1TMPRSS15NQO2

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