SCHEMBL9254490

SCHEMBL9254490

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.38
ITGB3 P05106 9/20 0.38
ITGA2B P08514 9/20 0.38
POLB P06746 1/20 0.38
F3 P13726 2/20 0.34
F7 P08709 1/20 0.34

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
SCHEMBL9255778 0.89 ITGB3 (0.37) F10ITGB3ITGA2B
SCHEMBL9253817 0.88 TMPRSS15 (0.38) F10ITGB3ITGA2B
SCHEMBL9254911 0.86 F7 (0.37) F10ITGB3ITGA2BF3F7
SCHEMBL9255039 0.86 S1PR1 (0.43) F10ITGB3ITGA2BPOLB
SCHEMBL9258892 0.84 ITGB3 (0.39) F10ITGB3ITGA2B
SCHEMBL9256974 0.83 ITGB3 (0.51) F10ITGB3ITGA2B
SCHEMBL9253132 0.83 ITGB3 (0.51) F10ITGB3ITGA2B
SCHEMBL9253735 0.83 F10 (0.38) F10ITGB3ITGA2BF7
SCHEMBL9254909 0.83 ITGB3 (0.45) F10ITGB3ITGA2B
SCHEMBL9258365 0.81 NQO2 (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