SCHEMBL2464652

SCHEMBL2464652

COC(=O)Oc1nc(-c2ccc(Cl)c(C(F)F)c2F)cc(N)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.32
ALPL P05186 1/20 0.32
PDCD1LG2 Q9BQ51 7/20 0.31
CD274 Q9NZQ7 7/20 0.31
NQO2 P16083 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31

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
SCHEMBL2464743 0.94 SCN10A (0.34) SCN10AALPLPDCD1LG2CD274NQO2
SCHEMBL2466194 0.91 ALPL (0.35) SCN10AALPLPDCD1LG2CD274NQO2
SCHEMBL3455346 0.91 PDCD1LG2 (0.32) SCN10AALPLPDCD1LG2CD274
SCHEMBL2464694 0.90 MAPK9 (0.32) SCN10APDCD1LG2CD274KDM4EMAPK8
SCHEMBL2466384 0.89 ALOX5AP (0.31)
SCHEMBL2468807 0.88 MEP1B (0.36) SCN10AALPLPDCD1LG2CD274NQO2
SCHEMBL2467061 0.87 SCN10A (0.33) SCN10AALPLPDCD1LG2CD274NQO2
SCHEMBL2468405 0.86 PTGES (0.34) SCN10AALPLPDCD1LG2CD274NQO2
SCHEMBL2468350 0.85 SCN10A (0.32) SCN10AALPLPDCD1LG2CD274NQO2
SCHEMBL2464045 0.85 ALPL (0.36) SCN10AALPLPDCD1LG2CD274NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP claimed
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed