SCHEMBL2465710

SCHEMBL2465710

Nc1c(F)c(OC(=O)O)nc(-c2ccc(Cl)cc2Cl)c1F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.43
CNR2 P34972 9/20 0.43
DPP4 P27487 2/20 0.37
CDC7 O00311 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
DBF4 Q9UBU7 1/20 0.37

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
SCHEMBL2469859 0.91 CNR1 (0.43) CNR1CNR2DPP4CDC7CCNE1
SCHEMBL2464682 0.90 GRM2 (0.42) CNR1CNR2CDC7CDK2
SCHEMBL2469186 0.88 CDC7 (0.40) CNR1CNR2DPP4CDC7CCNE1
SCHEMBL2464645 0.85 TSPO (0.39) CNR1DPP4
SCHEMBL2466316 0.81 GRM2 (0.41) CNR1CNR2CDC7CDK2
SCHEMBL9938760 0.81 CNR1 (0.34) CNR1CNR2
SCHEMBL2465707 0.81 CNR1 (0.41) CNR1CNR2DPP4CDC7CCNE1
SCHEMBL2469857 0.77 TDP1 (0.42) CNR1CNR2DPP4CDC7CCNE1
SCHEMBL2465873 0.74 DHODH (0.37) CNR1CNR2
SCHEMBL2465128 0.73 ALPL (0.44) CNR1CNR2DPP4

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