SCHEMBL2467774

SCHEMBL2467774

COC(=O)Oc1nc(-c2c(F)cc(Cl)c(OC)c2Cl)cc(N)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

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
ACLY P53396 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 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
SCHEMBL2464658 0.93 KDM4E (0.33) KDM4EALDH1A1GAANQO2ACLY
SCHEMBL2469306 0.92 ILK (0.33) NQO2MAPK8MAPK9
SCHEMBL17797241 0.90 TPMT (0.32) KDM4EALDH1A1GAANQO2ACLY
SCHEMBL2465822 0.88 PDCD1LG2 (0.30)
SCHEMBL2467726 0.87 PDCD1LG2 (0.31) NQO2MAPK8MAPK9
SCHEMBL2466386 0.85 PDCD1LG2 (0.30)
SCHEMBL2470878 0.84 NQO2 (0.32) NQO2
SCHEMBL2464677 0.84 LMNA (0.35) MAPK8MAPK9
SCHEMBL2469762 0.84 ALOX5AP (0.32)
SCHEMBL2471013 0.83 TPMT (0.32) KDM4EALDH1A1GAANQO2ACLY

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-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