SCHEMBL2469859

SCHEMBL2469859

Nc1c(F)c(-c2ccc(Cl)cc2Cl)nc(OC(=O)O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.43
CNR2 P34972 8/20 0.43
CDC7 O00311 2/20 0.39
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
CCNT1 O60563 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CDK9 P50750 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
DPP4 P27487 2/20 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
SCHEMBL2465710 0.91 CNR1 (0.43) CNR1CNR2CDC7CCNE1CDK2
SCHEMBL9938760 0.90 CNR1 (0.34) CNR1CNR2
SCHEMBL2466316 0.90 GRM2 (0.41) CNR1CNR2CDC7CDK2CSNK1A1
SCHEMBL2465873 0.83 DHODH (0.37) CNR1CNR2
SCHEMBL2464682 0.81 GRM2 (0.42) CNR1CNR2CDC7CDK2CSNK1A1
SCHEMBL2469857 0.81 TDP1 (0.42) CNR1CNR2CDC7CCNE1CDK2
SCHEMBL2471058 0.81 ALDH1A1 (0.37)
SCHEMBL2469186 0.80 CDC7 (0.40) CNR1CNR2CDC7CCNE1CDK2
SCHEMBL2469147 0.78 DHODH (0.38)
SCHEMBL2465128 0.77 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