SCHEMBL9256145

SCHEMBL9256145

Cn1c(-c2ccc(C(=N)N)cc2F)nc2cc(C(=O)NCCC(=O)O)ccc21

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

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
SCHEMBL9248410 0.91 F2 (0.42) F2ITGB3ITGA2B
SCHEMBL9249002 0.91 ITGB3 (0.50) F2ITGB3ITGA2B
SCHEMBL9248855 0.87 ITGB3 (0.47) F2ITGB3ITGA2B
SCHEMBL9249490 0.85 HDAC1 (0.56) F2ITGB3ITGA2B
SCHEMBL9251368 0.85 HDAC6 (0.45) F2ITGB3ITGA2B
SCHEMBL9255028 0.82 ITGB3 (0.47) F2ITGB3ITGA2B
SCHEMBL9252299 0.81 HDAC1 (0.45) F2ITGB3ITGA2B
SCHEMBL9249572 0.80 ITGB3 (0.56) F2ITGB3ITGA2B
SCHEMBL9251091 0.80 NPC1 (0.44) ITGB3ITGA2B
SCHEMBL9254049 0.79 ITGB3 (0.43) F2ITGB3ITGA2B

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