SCHEMBL2464556

SCHEMBL2464556

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.42
NOTUM Q6P988 4/20 0.41
RORB Q92753 2/20 0.41
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.41
FLT3 P36888 1/20 0.41
KMO O15229 2/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CDK8 P49336 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRIN2B Q13224 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 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
SCHEMBL3453611 0.85 CASP1 (0.45) ACHEKDM4EALDH1A1HSD17B10
SCHEMBL2465141 0.85 KMO (0.48) KMOKDM4E
SCHEMBL2469759 0.84 KMO (0.47) KMOGRIN2BKDM4C
SCHEMBL2464553 0.82 KMO (0.44) ACHENOTUMRORBKDRPDGFRB
SCHEMBL2469327 0.82 KMO (0.47) KMO
SCHEMBL2463132 0.82 ABL1 (0.42) KMOGRIN2B
SCHEMBL2465809 0.81 XDH (0.47) ACHERORBKMOCTSKKDM4E
SCHEMBL2466883 0.81 DHODH (0.44) ACHEKDM4E
SCHEMBL2468160 0.81 CTRC (0.46) ACHEKMOKDM4EALDH1A1HSD17B10
SCHEMBL2468415 0.81 DHODH (0.51)

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