SCHEMBL7499847

SCHEMBL7499847

CCOC(=O)/C=C/c1cccc(CNC(=O)c2cccc(Nc3ncccn3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 6/20 0.46
ROCK1 Q13464 2/20 0.45
SENP2 Q9HC62 1/20 0.45
HDAC4 P56524 3/20 0.43
MEF2D Q14814 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROS1 P08922 1/20 0.42
NQO1 P15559 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL7499852 1.00 SENP1 (0.46) SENP1ROCK1SENP2HDAC4MEF2D
SCHEMBL8304013 0.91 KDM4E (0.43) MAPK1TDP1PTGS2KDM4ENPC1
SCHEMBL7497378 0.87 SENP1 (0.53) SENP1ROCK1SENP2HDAC4MEF2D
SCHEMBL7497385 0.87 SENP1 (0.53) SENP1ROCK1SENP2HDAC4MEF2D
SCHEMBL7500209 0.84 ITGB3 (0.58) HDAC4HDAC3HDAC1HDAC2HDAC8
SCHEMBL7500205 0.84 ITGB3 (0.58) HDAC4HDAC3HDAC1HDAC2HDAC8
SCHEMBL7500334 0.83 ITGB3 (0.59)
SCHEMBL7500332 0.83 ITGB3 (0.59)
SCHEMBL7494300 0.82 SENP1 (0.55) SENP1SENP2MAPK1PTGS2NAMPT
SCHEMBL7494303 0.82 SENP1 (0.55) SENP1SENP2MAPK1PTGS2NAMPT

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