SCHEMBL9253041

SCHEMBL9253041

Cc1nc(-c2ccc(CCC(=O)O)cc2)nn1-c1ccc(C(=N)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.57
ITGA2B P08514 13/20 0.57
PRSS1 P07477 1/20 0.42
TMPRSS15 P98073 1/20 0.42
FFAR1 O14842 3/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
NQO2 P16083 1/20 0.38

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
SCHEMBL9258560 0.88 ITGB3 (0.43) ITGB3ITGA2BPRSS1F2F10
SCHEMBL9250781 0.81 ITGB3 (0.56) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL9258299 0.81 ITGB3 (0.56) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL7276120 0.81 ITGB3 (0.55) ITGB3ITGA2BPRSS1TMPRSS15FFAR1
SCHEMBL7274111 0.81 ITGB3 (0.55) ITGB3ITGA2BPRSS1TMPRSS15FFAR1
SCHEMBL7282152 0.80 ITGB3 (0.57) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL7273965 0.80 ITGB3 (0.57) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL9250743 0.79 ITGB3 (0.56) ITGB3ITGA2BPRSS1TMPRSS15FFAR1
SCHEMBL9258646 0.77 ITGB3 (0.59) ITGB3ITGA2BPRSS1TMPRSS15FFAR1
SCHEMBL9258841 0.77 ITGB3 (0.59) ITGB3ITGA2BPRSS1TMPRSS15FFAR1

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