SCHEMBL2469487

SCHEMBL2469487

COc1ccc(-c2cc(N)c(Cl)c(OC(=O)O)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
PRKAG1 P54619 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
PIK3CA P42336 4/20 0.41
MTOR P42345 1/20 0.41
KLK3 P07288 3/20 0.40
KCNH2 Q12809 2/20 0.40
PIK3CD O00329 1/20 0.39
PIP5K1C O60331 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
NNMT P40261 1/20 0.39
ATR Q13535 1/20 0.39
ADORA2B P29275 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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
SCHEMBL2465267 0.85 PIK3CD (0.43) PIK3CAPIK3CDATR
SCHEMBL2467821 0.85 KDM4E (0.48)
SCHEMBL2469483 0.83 MKNK1 (0.46) MKNK1MKNK2PRKAG1PRKAA1PRKAB1
SCHEMBL2466248 0.82 MAPT (0.44)
SCHEMBL2468160 0.82 CTRC (0.46) PTGES
SCHEMBL2468353 0.82 MEN1 (0.52)
SCHEMBL2470000 0.81 ACHE (0.45)
SCHEMBL2468817 0.80 DHODH (0.45)
SCHEMBL2468312 0.80 ADORA3 (0.43) PRKAG1PRKAA1PRKAB1ATRHSD17B1
SCHEMBL2466313 0.80 MAPT (0.43)

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