SCHEMBL2468243

SCHEMBL2468243

COc1c(Cl)ccc(-c2cc(N)c(Cl)c(OC(=O)O)n2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALPL P05186 1/20 0.35
PDCD1LG2 Q9BQ51 7/20 0.35
CD274 Q9NZQ7 7/20 0.35
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
TSHR P16473 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
NQO2 P16083 1/20 0.32
KMO O15229 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2467541 0.93 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10PDCD1LG2CD274
SCHEMBL2470407 0.89 PDCD1LG2 (0.38) ALDH1A1KDM4EHSD17B10ALPLPDCD1LG2
SCHEMBL17797261 0.88 PDCD1LG2 (0.40) PDCD1LG2CD274HSP90AA1HSP90AB1KMO
SCHEMBL2462590 0.88 ALOX5AP (0.35) HSD17B10PDCD1LG2CD274HSP90AA1HSP90AB1
SCHEMBL2465856 0.88 PPARA (0.36) ALDH1A1KDM4EALPLPDCD1LG2CD274
SCHEMBL17797244 0.85 PDCD1LG2 (0.36) PDCD1LG2CD274
SCHEMBL17797218 0.85 PDCD1LG2 (0.37) PDCD1LG2CD274HSP90AA1HSP90AB1
SCHEMBL2468810 0.84 PDCD1LG2 (0.33) PDCD1LG2CD274HSP90AA1HSP90AB1
SCHEMBL2469721 0.83 ALPL (0.32) ALPLPDCD1LG2CD274
SCHEMBL2470475 0.83 ALOX5AP (0.46) HSD17B10PDCD1LG2CD274

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-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