SCHEMBL9259667

SCHEMBL9259667

CN(CC(=O)O)c1ccc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
NQO2 P16083 4/20 0.38
CHEK2 O96017 1/20 0.35
PLAU P00749 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
SCHEMBL9568477 0.88 TMPRSS15 (0.38) ITGB3ITGA2BNQO2PLAU
SCHEMBL9250640 0.87 NQO2 (0.39) ITGB3ITGA2BNQO2
SCHEMBL9253132 0.78 ITGB3 (0.51) ITGB3ITGA2BNQO2CHEK2
SCHEMBL9256974 0.78 ITGB3 (0.51) ITGB3ITGA2BNQO2CHEK2
SCHEMBL9257715 0.78 NQO2 (0.35) ITGB3ITGA2BNQO2PLAU
SCHEMBL9254922 0.77 GRK6 (0.42) ITGB3ITGA2BNQO2
SCHEMBL9254458 0.77 ITGB3 (0.52) ITGB3ITGA2BPLAU
SCHEMBL9255915 0.77 ITGB3 (0.44) ITGB3ITGA2BNQO2
SCHEMBL9259804 0.76 MMP2 (0.44) NQO2
SCHEMBL9250815 0.76 F2 (0.37) ITGB3ITGA2BNQO2

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