SCHEMBL7499040

SCHEMBL7499040

Cc1cc(NC(=O)c2cccc(NC(=N)N)c2)ccc1C=CC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.70
ITGAV P06756 12/20 0.70
ITGA2B P08514 12/20 0.70
ITGB1 P05556 4/20 0.70
ITGB5 P18084 4/20 0.70
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
PARP1 P09874 2/20 0.45
PARP15 Q460N3 2/20 0.45
PARP14 Q460N5 2/20 0.45
PARP10 Q53GL7 2/20 0.45

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
SCHEMBL7499034 1.00 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502040 0.90 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502052 0.90 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7497581 0.87 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500862 0.87 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500854 0.87 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499410 0.87 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7501528 0.86 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7501536 0.86 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7501345 0.86 ITGB3 (0.67) 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 6 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
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP disclosed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed