SCHEMBL31065628

SCHEMBL31065628

NC(=O)C(=Cc1ccccc1Cl)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GSR P00390 1/20 0.44
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 3/20 0.42

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
SCHEMBL7311482 0.82 TRPA1 (0.50) TRPA1CA1CA2CA4CA7
SCHEMBL4639571 0.77 GRIN1 (0.50) TRPA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9477461 0.76 CA1 (0.52) TRPA1CA1CA2CA4CA7
SCHEMBL9477455 0.76 CA1 (0.52) TRPA1CA1CA2CA4CA7
SCHEMBL6098478 0.72 TRPA1 (0.48) TRPA1HDAC1HDAC8HDAC6GSR
SCHEMBL7571231 0.72 TRPA1 (0.53) TRPA1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30560952 0.72 HDAC1 (0.62) GRIN1GRIN2BHDAC1HDAC8HDAC6
SCHEMBL8002126 0.72 HDAC1 (0.62) GRIN1GRIN2BHDAC1HDAC8HDAC6
SCHEMBL6098480 0.72 TRPA1 (0.48) TRPA1HDAC1HDAC8HDAC6GSR
SCHEMBL8002124 0.72 HDAC1 (0.62) GRIN1GRIN2BHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118670205-A Intensity polycarbonate board 瀚海新材料(南通)有限公司 2024-09-20 CN disclosed