SCHEMBL9254802

SCHEMBL9254802

N=C(N)c1ccc(-c2ccc(-c3c[nH]c(CCC(=O)O)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.42
ITGA2B P08514 11/20 0.42
WDR5 P61964 1/20 0.41
PRSS1 P07477 1/20 0.39
TMPRSS15 P98073 1/20 0.39
APEX1 P27695 1/20 0.38
NQO2 P16083 3/20 0.37

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
SCHEMBL9252726 0.85 TMPRSS15 (0.38) ITGB3ITGA2BPRSS1TMPRSS15NQO2
SCHEMBL9253132 0.81 ITGB3 (0.51) ITGB3ITGA2BPRSS1TMPRSS15NQO2
SCHEMBL9256974 0.81 ITGB3 (0.51) ITGB3ITGA2BPRSS1TMPRSS15NQO2
SCHEMBL28401740 0.81 CHRM1 (0.49)
SCHEMBL9258365 0.79 NQO2 (0.38) ITGB3ITGA2BPRSS1TMPRSS15NQO2
SCHEMBL1695555 0.78 WDR5 (0.40) WDR5PRSS1NQO2
SCHEMBL9255412 0.78 ITGB3 (0.43) ITGB3ITGA2BWDR5PRSS1TMPRSS15
SCHEMBL9254490 0.77 F10 (0.38) ITGB3ITGA2B
SCHEMBL9255778 0.77 ITGB3 (0.37) ITGB3ITGA2BPRSS1TMPRSS15NQO2
SCHEMBL9252117 0.74 NR1H4 (0.63) ITGB3ITGA2BWDR5PRSS1TMPRSS15

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