SCHEMBL13822296

SCHEMBL13822296

COc1c(Cl)ccc(-c2cc(N)c(Cl)c(OC(=O)OC(C)C)n2)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.33
PDCD1LG2 Q9BQ51 6/20 0.32
CD274 Q9NZQ7 6/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
MEP1B Q16820 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTGES O14684 1/20 0.31
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 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
SCHEMBL2468807 0.91 MEP1B (0.36) SCN10APDCD1LG2CD274ALOX5APFEN1
SCHEMBL2596680 0.90 PDCD1LG2 (0.32) SCN10APDCD1LG2CD274MAPK8MAPK9
SCHEMBL2467541 0.86 ALDH1A1 (0.37) SCN10APDCD1LG2CD274ALOX5APFEN1
SCHEMBL2465727 0.85 MEP1B (0.34) PDCD1LG2CD274MAPK8MAPK9MAPK10
SCHEMBL2596708 0.85 ALOX5AP (0.33) PDCD1LG2CD274ALOX5APFEN1MEP1B
SCHEMBL2470407 0.85 PDCD1LG2 (0.38) SCN10APDCD1LG2CD274MAPK8MAPK9
SCHEMBL678703 0.84 MEP1B (0.34) SCN10AALOX5APFEN1MEP1BKDM4E
SCHEMBL13822293 0.84 MEP1B (0.34) PDCD1LG2CD274MEP1BALDH1A1HSD17B10
SCHEMBL2462838 0.84 PDCD1LG2 (0.36) SCN10APDCD1LG2CD274ALOX5APFEN1
SCHEMBL2468405 0.83 PTGES (0.34) SCN10APDCD1LG2CD274MAPK8MAPK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524602-A1 Herbicide agent for tolerant or resistant soya cultures Bayer CropScience AG (DE) 2012-11-21 EP claimed
EP-2524602-A1 Herbicide agent for tolerant or resistant soya cultures Bayer CropScience AG (DE) 2012-11-21 EP disclosed