SCHEMBL2465876

SCHEMBL2465876

COC(=O)Oc1nc(-c2ccc(Br)c(OC)c2Cl)cc(N)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CD274 Q9NZQ7 14/20 0.36
PDCD1LG2 Q9BQ51 12/20 0.36
PDCD1 Q15116 2/20 0.33
MAPK9 P45984 2/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CSF1R P07333 1/20 0.32
MAPK1 P28482 1/20 0.32
CSNK1D P48730 1/20 0.32
PRKD2 Q9BZL6 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
SCHEMBL2468381 0.92 ALOX5AP (0.47) ALOX5APFEN1CD274PDCD1LG2PDCD1
SCHEMBL2462590 0.90 ALOX5AP (0.35) ALOX5APFEN1CD274PDCD1LG2PDCD1
SCHEMBL2470407 0.88 PDCD1LG2 (0.38) CD274PDCD1LG2MAPK9MAPK8MAPK10
SCHEMBL2469575 0.87 SCN10A (0.34) CD274PDCD1LG2MAPK9MAPK8MAPK10
SCHEMBL2467890 0.86 PDCD1LG2 (0.39) CD274PDCD1LG2
SCHEMBL2464806 0.84 PDCD1LG2 (0.38) CD274PDCD1LG2
SCHEMBL2468807 0.84 MEP1B (0.36) ALOX5APFEN1CD274PDCD1LG2
SCHEMBL2462838 0.83 PDCD1LG2 (0.36) ALOX5APFEN1CD274PDCD1LG2
SCHEMBL2464679 0.82 ALPL (0.38) CD274PDCD1LG2MAPK9MAPK8MAPK10
SCHEMBL2467749 0.82 ADORA2A (0.35) ALOX5APFEN1CD274PDCD1LG2MAPK9

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