SCHEMBL9250640

SCHEMBL9250640

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

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 10/20 0.39
F2 P00734 3/20 0.38
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 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
SCHEMBL9257715 0.89 NQO2 (0.35) NQO2F2ITGB3ITGA2B
SCHEMBL9259667 0.87 ITGB3 (0.39) NQO2ITGB3ITGA2B
SCHEMBL9250815 0.84 F2 (0.37) NQO2F2ITGB3ITGA2B
SCHEMBL9253931 0.84 ITGB3 (0.35) NQO2F2ITGB3ITGA2B
SCHEMBL9568477 0.78 TMPRSS15 (0.38) NQO2F2ITGB3ITGA2B
SCHEMBL9253132 0.77 ITGB3 (0.51) NQO2F2ITGB3ITGA2B
SCHEMBL9256974 0.77 ITGB3 (0.51) NQO2F2ITGB3ITGA2B
SCHEMBL9254458 0.76 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL9254922 0.76 GRK6 (0.42) NQO2ITGB3ITGA2B
SCHEMBL9255915 0.76 ITGB3 (0.44) NQO2F2ITGB3ITGA2B

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