SCHEMBL7495906

SCHEMBL7495906

N#Cc1cc(NC(=O)c2cccc(NC(=N)N)c2)ccc1/C=C/C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.51
ITGAV P06756 13/20 0.51
ITGA2B P08514 13/20 0.51
ITGB1 P05556 4/20 0.51
ITGB5 P18084 4/20 0.51
PKM P14618 1/20 0.47
PARP1 P09874 2/20 0.43
PARP15 Q460N3 2/20 0.43
PARP14 Q460N5 2/20 0.43
PARP10 Q53GL7 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7495912 1.00 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL8296314 1.00 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7495919 0.88 ITGB3 (0.49) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502040 0.87 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7502052 0.87 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7503254 0.86 SMN1; SMN2 (0.42) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7503257 0.86 SMN1; SMN2 (0.42) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499410 0.84 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7499040 0.84 ITGB3 (0.70) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7500854 0.84 ITGB3 (0.70) 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-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