SCHEMBL6364181

SCHEMBL6364181

COc1ccc(C(F)(F)F)cc1N(C(N)=O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.41
MAPT P10636 2/20 0.40
SCN8A Q9UQD0 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
ERAP1 Q9NZ08 2/20 0.38
CFTR P13569 1/20 0.37
NQO2 P16083 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
SCHEMBL13388545 0.90 MAPT (0.43) MAPTSCN8ASCN10AHCRTR1HCRTR2
SCHEMBL6959867 0.86 MAPT (0.37) MAPTHCRTR1HCRTR2PTGDR2ERAP1
SCHEMBL6258541 0.85 SCN8A (0.40) MAPTSCN8ASCN10AHCRTR1HCRTR2
SCHEMBL13388895 0.85 MAPT (0.43) MAPTHCRTR1HCRTR2PTGDR2
SCHEMBL6249040 0.83 RAF1 (0.43) MAPT
SCHEMBL5596997 0.82 MAPT (0.43) MAPTHCRTR1HCRTR2PTGDR2ERAP1
SCHEMBL6668753 0.82 MEN1 (0.46) POLQMAPTGPBAR1
SCHEMBL6364178 0.82 ICAM1 (0.38) POLQMAPTHCRTR1HCRTR2GPBAR1
SCHEMBL14760908 0.81 MAPT (0.41) MAPTSCN8ASCN10AHCRTR1HCRTR2
SCHEMBL1513789 0.80 ERAP1 (0.47) MAPTERAP1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049664-B1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS BAYER PHARMACEUTICALS CORP (US) 2005-03-16 EP disclosed
EP-1049664-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS Bayer Corporation (US) 2000-11-08 EP disclosed
WO-1999032436-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed