SCHEMBL2467010

SCHEMBL2467010

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 19/20 0.41
PDCD1LG2 Q9BQ51 18/20 0.41
MEP1B Q16820 1/20 0.33
PDCD1 Q15116 1/20 0.33

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
SCHEMBL17797210 0.91 CD274 (0.39) CD274PDCD1LG2MEP1BPDCD1
SCHEMBL2468807 0.88 MEP1B (0.36) CD274PDCD1LG2MEP1B
SCHEMBL2462838 0.87 PDCD1LG2 (0.36) CD274PDCD1LG2
SCHEMBL2467749 0.86 ADORA2A (0.35) CD274PDCD1LG2
SCHEMBL2468381 0.85 ALOX5AP (0.47) CD274PDCD1LG2PDCD1
SCHEMBL2470028 0.84 KDM4E (0.33) CD274PDCD1LG2PDCD1
SCHEMBL2466407 0.84 PDCD1LG2 (0.35) CD274PDCD1LG2
SCHEMBL2467890 0.84 PDCD1LG2 (0.39) CD274PDCD1LG2
SCHEMBL2465857 0.84 ALOX5AP (0.39) CD274PDCD1LG2
SCHEMBL3329199 0.83 PDCD1LG2 (0.38) CD274PDCD1LG2MEP1B

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