SCHEMBL2468415

SCHEMBL2468415

Nc1cc(-c2ccc(OC(F)(F)F)cc2)nc(OC(=O)O)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.51
ADORA3 P0DMS8 1/20 0.46
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
SCN9A Q15858 2/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCN10A Q9Y5Y9 3/20 0.41
PPARD Q03181 2/20 0.41
ACP1 P24666 1/20 0.40
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
SCN2A Q99250 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.38
GCGR P47871 1/20 0.37
ALOX5 P09917 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) ADORA3SCN9AMAPTPPARD
SCHEMBL2468412 0.84 DHODH (0.55) DHODHADORA3AKR1C2AKR1C1SCN9A
SCHEMBL2467821 0.84 KDM4E (0.48) ADORA3MAPT
SCHEMBL2466883 0.83 DHODH (0.44) DHODHADORA3SCN9AMAPT
SCHEMBL2468160 0.83 CTRC (0.46) ADORA3MAPTALOX5
SCHEMBL2470000 0.82 ACHE (0.45) ADORA3MAPTL3MBTL1
SCHEMBL2464556 0.81 ACHE (0.42)
SCHEMBL2466248 0.81 MAPT (0.44) DHODHADORA3MAPTL3MBTL1
SCHEMBL2462741 0.80 CYP1A1 (0.50) MAPT
SCHEMBL2469966 0.80 SMN1; SMN2 (0.42) DHODHMAPTMAPK1

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