SCHEMBL2471045

SCHEMBL2471045

COC(=O)Oc1nc(-c2ccc(Cl)c(C3CC3)c2F)cc(N)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.32
FEN1 P39748 9/20 0.32
ABL1 P00519 1/20 0.32
SLC6A3 Q01959 2/20 0.32
FFAR4 Q5NUL3 2/20 0.31
MAPK1 P28482 1/20 0.31
FPR1 P21462 2/20 0.31
FPR2 P25090 2/20 0.31
PTGES O14684 2/20 0.31
SCN10A Q9Y5Y9 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
SCHEMBL17797229 0.89 FFAR4 (0.34) ALOX5APFEN1FFAR4
SCHEMBL2468807 0.85 MEP1B (0.36) ALOX5APFEN1SCN10A
SCHEMBL2467061 0.84 SCN10A (0.33) MAPK1PTGESSCN10A
SCHEMBL3328751 0.84 SLC6A3 (0.37) ALOX5APFEN1ABL1SLC6A3
SCHEMBL3454144 0.84 FFAR4 (0.32) FFAR4SCN10A
SCHEMBL2468350 0.82 SCN10A (0.32) SCN10A
SCHEMBL2464045 0.82 ALPL (0.36) ABL1SCN10A
SCHEMBL2464652 0.82 SCN10A (0.32) SCN10A
SCHEMBL2464743 0.82 SCN10A (0.34) PTGESSCN10A
SCHEMBL2470061 0.82 PDCD1LG2 (0.35) ABL1FPR1FPR2SCN10A

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