SCHEMBL2464658

SCHEMBL2464658

COC(=O)Oc1nc(-c2c(F)cc(Cl)c(OC)c2F)cc(N)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NQO2 P16083 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ACLY P53396 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 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
SCHEMBL2467726 0.93 PDCD1LG2 (0.31) NQO2PDCD1LG2CD274MAPK8MAPK9
SCHEMBL2467774 0.93 KDM4E (0.33) KDM4EALDH1A1GAANQO2ACLY
SCHEMBL2466386 0.91 PDCD1LG2 (0.30) PDCD1LG2CD274
SCHEMBL2464677 0.91 LMNA (0.35) MAPK8MAPK9
SCHEMBL2469762 0.90 ALOX5AP (0.32) PDCD1LG2CD274
SCHEMBL2471013 0.90 TPMT (0.32) KDM4EALDH1A1GAANQO2PDCD1LG2
SCHEMBL2470878 0.89 NQO2 (0.32) NQO2
SCHEMBL2470881 0.88 MAPK8 (0.36) KDM4EALDH1A1GAAMAPK8MAPK9
SCHEMBL2469306 0.88 ILK (0.33) NQO2PDCD1LG2CD274MAPK8MAPK9
SCHEMBL2470016 0.87 PYGL (0.35) KDM4EALDH1A1ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939540-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