SCHEMBL4258585

SCHEMBL4258585

O=C(c1ccc(F)cc1C(F)(F)F)N(C(F)(F)F)S(=O)(=O)C=Cc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.46
ALDH1A1 P00352 1/20 0.44
NAMPT P43490 9/20 0.40
NTSR1 P30989 1/20 0.39
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
JUN P05412 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL4265100 0.80 NFE2L2 (0.47) NFE2L2ALDH1A1NAMPTALOX5PTGS1
SCHEMBL4263131 0.80 NFE2L2 (0.47) NFE2L2ALDH1A1NAMPTNTSR1ALOX5
SCHEMBL4265094 0.80 NFE2L2 (0.47) NFE2L2ALDH1A1NAMPTALOX5PTGS1
SCHEMBL27706035 0.80 NFE2L2 (0.47) NFE2L2ALDH1A1NAMPTNTSR1ALOX5
SCHEMBL4258583 0.77 NFE2L2 (0.45) NFE2L2ALDH1A1NAMPTALOX5PTGS1
SCHEMBL4262721 0.69 FLT1 (0.47) NFE2L2NAMPT
SCHEMBL4261210 0.69 NAMPT (0.45) NFE2L2NAMPTALOX5PTGS1PTGS2
SCHEMBL27726712 0.68 NFE2L2 (0.50) NFE2L2ALDH1A1NAMPTNTSR1MEN1
SCHEMBL4262713 0.68 NFE2L2 (0.50) NFE2L2ALDH1A1NAMPTNTSR1MEN1
SCHEMBL4375633 0.67 PTGS2 (0.53) PTGS1PTGS2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904471-B1 HETEROARYLETHENYL DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-10-21 EP disclosed