SCHEMBL7527736

SCHEMBL7527736

O=C(O)c1ccccc1Nc1ccccc1/C=C/c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.56
SIRT2 Q8IXJ6 1/20 0.54
FABP3 P05413 1/20 0.53
FABP5 Q01469 1/20 0.53
TRPA1 O75762 5/20 0.50
AKR1C3 P42330 4/20 0.50
AKR1C2 P52895 3/20 0.50
MEN1 O00255 2/20 0.50
AKR1B10 O60218 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
AKR1B1 P15121 2/20 0.50
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
KMT2A Q03164 2/20 0.50
AKR1C1 Q04828 2/20 0.50
HIF1A Q16665 2/20 0.50
ABCB11 O95342 1/20 0.50

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
SCHEMBL2492770 0.84 NFE2L2 (0.54) SIRT2TRPA1SNCA
SCHEMBL8892377 0.81 FABP4 (0.61) FABP4FABP3FABP5TRPA1AKR1C3
SCHEMBL1019981 0.81 GRIK1 (0.58) TRPA1LMNACYP1A2CYP2C9TDP1
SCHEMBL29542528 0.81 GRIK1 (0.58) TRPA1LMNACYP1A2CYP2C9TDP1
SCHEMBL2291774 0.81 GRIK1 (0.58) TRPA1LMNACYP1A2CYP2C9TDP1
SCHEMBL13554389 0.81 GRIK1 (0.58) TRPA1LMNACYP1A2CYP2C9TDP1
SCHEMBL30320327 0.80 FABP4 (0.80) FABP4FABP3FABP5TRPA1AKR1C3
SCHEMBL355549 0.80 FABP4 (0.80) FABP4FABP3FABP5TRPA1AKR1C3
SCHEMBL27703496 0.80 FABP4 (0.59) FABP4FABP3FABP5TRPA1AKR1C3
Hydrochloric Acid SCHEMBL26105180 0.79 GRIK1 (0.56) TRPA1LMNACYP1A2CYP2C9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7017927-A None JP disclosed
JP-2002145768-A ANTITUMOR AGENT COMPRISING N-STYRYLPHENYLAMINOBENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT CHUGAI PHARMACEUT CO LTD 2002-05-22 JP disclosed
JP-H0717927-A N-STYRYLPHENYLAMINOBENZOIC ACID DERIVATIVE CHUGAI PHARMACEUT CO LTD 1995-01-20 JP disclosed