SCHEMBL9251234

SCHEMBL9251234

Cn1c(-c2ccc(C(=N)N)cc2)nc2ccc(N3CCN(CC(=O)O)C(=O)C3)nc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.46
ITGA2B P08514 15/20 0.46
BRD4 O60885 1/20 0.35
NQO2 P16083 1/20 0.35
ALOX15 P16050 1/20 0.34
F10 P00742 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
SCHEMBL9255901 0.91 ITGB3 (0.39) ITGB3ITGA2BBRD4ALOX15F10
SCHEMBL9252483 0.86 ITGB3 (0.44) ITGB3ITGA2BBRD4NQO2ALOX15
SCHEMBL9253758 0.79 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL9255246 0.78 ITGB3 (0.35) ITGB3ITGA2BBRD4ALOX15F10
SCHEMBL9251783 0.78 TMPRSS15 (0.45) ITGB3ITGA2BNQO2F10
SCHEMBL9251738 0.73 PADI4 (0.43) ITGB3ITGA2B
SCHEMBL9255399 0.68 SCN9A (0.42) ITGB3ITGA2BF10
SCHEMBL8949226 0.68 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL9254810 0.65 VCP (0.41) ITGB3ITGA2B
SCHEMBL9252818 0.65 ADORA3 (0.41) 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-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed