SCHEMBL2467749

SCHEMBL2467749

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.35
ADORA1 P30542 1/20 0.35
ADORA3 P0DMS8 3/20 0.34
ADORA2B P29275 1/20 0.34
PDCD1LG2 Q9BQ51 6/20 0.34
CD274 Q9NZQ7 6/20 0.34
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
RIPK1 Q13546 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CHRM4 P08173 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32

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
SCHEMBL2468807 0.91 MEP1B (0.36) PDCD1LG2CD274ALOX5APFEN1
SCHEMBL2468810 0.90 PDCD1LG2 (0.33) ADORA2AADORA1ADORA3ADORA2BPDCD1LG2
SCHEMBL2462838 0.90 PDCD1LG2 (0.36) ADORA2APDCD1LG2CD274ALOX5APFEN1
SCHEMBL2468381 0.88 ALOX5AP (0.47) PDCD1LG2CD274ALOX5APFEN1MAPK8
SCHEMBL2466407 0.87 PDCD1LG2 (0.35) ADORA2AADORA1ADORA3ADORA2BPDCD1LG2
SCHEMBL2467890 0.87 PDCD1LG2 (0.39) ADORA2APDCD1LG2CD274
SCHEMBL2467010 0.86 CD274 (0.41) PDCD1LG2CD274
SCHEMBL2465857 0.86 ALOX5AP (0.39) PDCD1LG2CD274ALOX5APFEN1MAPT
SCHEMBL2467061 0.86 SCN10A (0.33) ADORA2AADORA1PDCD1LG2CD274MAPK8
SCHEMBL2470794 0.86 PDCD1LG2 (0.34) ADORA2AADORA1PDCD1LG2CD274CHRM4

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