SCHEMBL2469327

SCHEMBL2469327

Nc1cc(-c2ccc(F)c(Cl)c2)nc(OC(=O)O)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.47
CASP1 P29466 1/20 0.44
ABL1 P00519 1/20 0.41
HSD17B14 Q9BPX1 1/20 0.40
TSPO P30536 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
RPA1 P27694 1/20 0.39
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
DHODH Q02127 1/20 0.36
ICMT O60725 1/20 0.36
MDM2 Q00987 1/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL2469759 0.90 KMO (0.47) KMOCASP1ABL1
SCHEMBL2465141 0.88 KMO (0.48) KMOABL1DHODH
SCHEMBL2466883 0.87 DHODH (0.44) ADORA2AADORA1RPA1DHODH
SCHEMBL2468160 0.87 CTRC (0.46) KMOCASP1ADORA2AADORA1
SCHEMBL2466299 0.85 KMO (0.47) KMO
SCHEMBL2470000 0.83 ACHE (0.45) CASP1ADORA2AADORA1
SCHEMBL2463132 0.82 ABL1 (0.42) KMOABL1
SCHEMBL2467625 0.82 KMO (0.45) KMOABL1ADORA1CNR2
SCHEMBL2468817 0.82 DHODH (0.45) KMODHODH
SCHEMBL2464556 0.82 ACHE (0.42) KMO

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