SCHEMBL9623007

SCHEMBL9623007

CCc1cc(N=C=O)c(CC)cc1N=C=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
CYP3A4 P08684 4/20 0.43
TRPA1 O75762 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL28260106 0.93 GABRA1 (0.48) GABRA1GABRB2CYP3A4TRPA1TDP1
SCHEMBL11591392 0.84 CYP3A4 (0.54) GABRA1GABRB2CYP3A4TRPA1TDP1
SCHEMBL406943 0.83 GABRA1 (0.38) GABRA1GABRB2CYP3A4TRPA1TDP1
SCHEMBL894932 0.81 CYP3A4 (0.55) GABRA1GABRB2CYP3A4TRPA1TDP1
SCHEMBL29376372 0.79 CYP3A4 (0.61) GABRA1GABRB2CYP3A4TRPA1TDP1
SCHEMBL11509013 0.79 GABRA1 (0.46) GABRA1GABRB2CYP3A4TRPA1TDP1
SCHEMBL27371993 0.79 GABRA1 (0.46) GABRA1GABRB2CYP3A4TRPA1TDP1
SCHEMBL109348 0.79 CYP3A4 (0.56) GABRA1GABRB2CYP3A4TRPA1TDP1
SCHEMBL314237 0.79 CYP3A4 (0.61) GABRA1GABRB2CYP3A4TRPA1TDP1
SCHEMBL28222905 0.79 GABRA1 (0.46) GABRA1GABRB2CYP3A4TRPA1TDP1

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
CN-112876845-A Resin composition 味之素株式会社 2021-06-01 CN disclosed
EP-0271914-B1 POLYESTERAMIDE WITH IMPROVED COMPRESSION SET THE DOW CHEMICAL COMPANY (US) 1992-01-08 EP disclosed
US-4772649-A Polyesteramide and sufficient carbodiimide to impart improved compression set THE DOW CHEMICAL COMPANY (US) 1988-09-20 US disclosed
EP-0271914-A2 Polyesteramide with improved compression set THE DOW CHEMICAL COMPANY (US) 1988-06-22 EP disclosed