SCHEMBL10490679

SCHEMBL10490679

CCc1c(Cl)cc([C]=O)c(Cl)c1Cl

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL12658942 0.74 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18112469 0.73 CYP3A4 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1312076 0.73 CYP3A4 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10490649 0.72
SCHEMBL103899 0.70
SCHEMBL25949830 0.68 PGK1 (0.34)
SCHEMBL10490687 0.68 TDP1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2344465 0.67 MAPK1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7863967 0.67 CYP3A4 (0.40)
SCHEMBL101710 0.66 CYP3A4 (0.33)

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
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US claimed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP claimed
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US disclosed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP disclosed