SCHEMBL2467053

SCHEMBL2467053

COC(=O)Oc1nc(-c2ccc(F)c(C)c2F)cc(NC(C)=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
ADORA3 P0DMS8 4/20 0.35
ADORA2A P29274 3/20 0.35
ABL1 P00519 2/20 0.35
ADORA1 P30542 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 3/20 0.33
RIPK1 Q13546 2/20 0.33
IDH1 O75874 1/20 0.33
SCN9A Q15858 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.33
FGFR4 P22455 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2468304 0.91 ALDH1A1 (0.38) ADORA3ADORA2AABL1ADORA1KDM4E
SCHEMBL3454141 0.91 POLB (0.39) PIK3CAMTORADORA3ADORA2AABL1
SCHEMBL2468173 0.89 ADORA2A (0.39) ADORA3ADORA2AABL1ADORA1KDM4E
SCHEMBL2470794 0.86 PDCD1LG2 (0.34) ADORA2AABL1ADORA1SCN9ASCN2A
SCHEMBL2464613 0.86 ADORA2A (0.39) ADORA3ADORA2AABL1KDM4EHSD17B10
SCHEMBL3327804 0.85 ALDH1A1 (0.38) PIK3CAMTORADORA3ADORA2AABL1
SCHEMBL2465978 0.85 ALDH1A1 (0.38) ADORA3ADORA2AABL1ADORA1ALDH1A1
SCHEMBL2464008 0.83 NUDT1 (0.41) ADORA3ABL1KDM4EHSD17B10ALDH1A1
SCHEMBL17797217 0.82 KDM4E (0.39) PIK3CAMTORADORA3ADORA2AABL1
SCHEMBL17797223 0.82 RORC (0.40) ADORA3ABL1KDM4EALDH1A1RIPK1

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