SCHEMBL9254707

SCHEMBL9254707

Cn1nc(-c2ccc(CCC(=O)O)cc2)cc1-c1ccc(C(=N)N)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.52
ITGA2B P08514 7/20 0.52
NR1H4 Q96RI1 1/20 0.46
ASIC1 P78348 2/20 0.45
F10 P00742 2/20 0.43
F2 P00734 1/20 0.43
NQO2 P16083 1/20 0.43
PRSS1 P07477 1/20 0.42
TMPRSS15 P98073 1/20 0.42
TP53 P04637 3/20 0.42
MDM2 Q00987 3/20 0.42
FFAR1 O14842 1/20 0.40
GCGR P47871 1/20 0.39
PTPN1 P18031 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
SCHEMBL9257600 0.88 F2 (0.42) ITGB3ITGA2BASIC1F10F2
SCHEMBL9255123 0.84 ITGB3 (0.52) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9250781 0.80 ITGB3 (0.56) ITGB3ITGA2BF10F2NQO2
SCHEMBL9258299 0.80 ITGB3 (0.56) ITGB3ITGA2BF10F2NQO2
SCHEMBL9253873 0.78 ITGB3 (0.56) ITGB3ITGA2BF10F2NQO2
SCHEMBL9257983 0.78 ITGB3 (0.56) ITGB3ITGA2BF10F2NQO2
SCHEMBL9258269 0.77 ITGB3 (0.52) ITGB3ITGA2BF10F2NQO2
SCHEMBL9251393 0.77 ITGB3 (0.52) ITGB3ITGA2BF10F2NQO2
SCHEMBL7118598 0.77 ITGB3 (0.74) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9258646 0.76 ITGB3 (0.59) ITGB3ITGA2BF10F2NQO2

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