SCHEMBL2471013

SCHEMBL2471013

COc1c(Cl)cc(F)c(-c2cc(N)c(Cl)c(OC(=O)O)n2)c1F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ACLY P53396 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
NQO2 P16083 1/20 0.31
HSD17B10 Q99714 1/20 0.30
PTGS2 P35354 1/20 0.30
PDCD1LG2 Q9BQ51 2/20 0.30
CD274 Q9NZQ7 2/20 0.30

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
SCHEMBL17797241 0.93 TPMT (0.32) TPMTKDM4EALDH1A1GAAACLY
SCHEMBL2468291 0.91 ILK (0.30)
SCHEMBL17797250 0.90 HSD17B10 (0.33) HSD17B10
SCHEMBL2464658 0.90 KDM4E (0.33) KDM4EALDH1A1GAAACLYHSD17B1
SCHEMBL17797219 0.89 LMNA (0.36) KDM4E
SCHEMBL17797231 0.87 HPGD (0.34) KDM4EALDH1A1GAA
SCHEMBL17797198 0.87 KMT2A (0.30)
SCHEMBL2471011 0.85 TPMT (0.35) TPMTKDM4EALDH1A1GAAACLY
SCHEMBL17797232 0.85 PYGL (0.34) KDM4EALDH1A1ACLYHSD17B10
SCHEMBL2469353 0.84 FFAR4 (0.31)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP claimed
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