SCHEMBL7500870

SCHEMBL7500870

N=C(N)Nc1cccc(C(=O)Nc2ccc(/C=C/C(=O)O)cc2Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.68
ITGAV P06756 14/20 0.68
ITGA2B P08514 14/20 0.68
ITGB1 P05556 5/20 0.68
ITGB5 P18084 5/20 0.68
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PARP1 P09874 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL7507092 1.00 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502905 0.87 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502133 0.87 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499768 0.87 ITGB3 (0.68) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500879 0.85 ITGB3 (0.66) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7504211 0.85 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7504207 0.85 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7494348 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7496697 0.85 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7498586 0.85 ITGB3 (0.69) ITGB3ITGAVITGA2BITGB1ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP claimed
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP claimed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed
EP-0894084-B1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-06-26 EP disclosed