SCHEMBL2469306

SCHEMBL2469306

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.33
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
NQO2 P16083 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL2467774 0.92 KDM4E (0.33) MAPK8MAPK9NQO2
SCHEMBL2467726 0.92 PDCD1LG2 (0.31) ILKMAPK8MAPK9NQO2PDCD1LG2
SCHEMBL2465822 0.89 PDCD1LG2 (0.30) PDCD1LG2CD274
SCHEMBL2464658 0.88 KDM4E (0.33) MAPK8MAPK9NQO2PDCD1LG2CD274
SCHEMBL2466386 0.86 PDCD1LG2 (0.30) PDCD1LG2CD274
SCHEMBL2469762 0.85 ALOX5AP (0.32) PDCD1LG2CD274
SCHEMBL2467890 0.84 PDCD1LG2 (0.39) PDCD1LG2CD274
SCHEMBL2470881 0.82 MAPK8 (0.36) MAPK8MAPK9
SCHEMBL3454758 0.82 PDCD1LG2 (0.31) PDCD1LG2CD274
SCHEMBL17797241 0.82 TPMT (0.32) NQO2PDCD1LG2CD274

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