SCHEMBL7651092

SCHEMBL7651092

N#Cc1ccc(N2CCN(CC(=O)NC(CC(=O)O)c3ccccn3)C(=O)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 12/20 0.44
POLB P06746 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
CCR5 P51681 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP9 P55211 1/20 0.36
CASP8 Q14790 1/20 0.36
EEF2K O00418 1/20 0.35

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
SCHEMBL7455137 0.85 ITGB3 (0.43) ITGB3ITGA2BF2F10
Acetic Acid SCHEMBL7653168 0.83 ITGB3 (0.43) ITGB3ITGA2B
SCHEMBL7448038 0.79 ALDH1A1 (0.43) EP300POLBCCR5FNTAFNTB
SCHEMBL7684658 0.78 EP300 (0.43) EP300POLBITGB3ITGA2B
SCHEMBL7450039 0.77 ITGB3 (0.45) EP300ITGB3ITGA2B
SCHEMBL7660300 0.76 CCR5 (0.42) EP300POLBCCR5FNTAFNTB
SCHEMBL7662828 0.76 F10 (0.36) F2F10CASP1CASP3CASP9
SCHEMBL7662823 0.76 F10 (0.36) F2F10CASP1CASP3CASP9
SCHEMBL7377259 0.76 POLB (0.48) EP300POLBITGB3ITGA2BFNTA
SCHEMBL7651103 0.75 ITGB3 (0.36) ITGB3ITGA2BF2F10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344456-B1 ANTICOAGULANTS LABORATOIRE L. LAFON (FR) 2002-02-05 US disclosed