SCHEMBL20256342

SCHEMBL20256342

COc1ccc(F)c(C=N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.49
CYP1A1 P04798 4/20 0.46
CYP1B1 Q16678 4/20 0.46
CYP1A2 P05177 3/20 0.46
RELA Q04206 1/20 0.43
ERN1 O75460 1/20 0.43
AMY1A P0DUB6 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39

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
SCHEMBL28337714 0.82 NFE2L2 (0.50) NFE2L2CYP1A1CYP1B1CYP1A2RELA
SCHEMBL5442396 0.80 NFE2L2 (0.49) NFE2L2CYP1A1CYP1B1CYP1A2RELA
SCHEMBL16958554 0.80 NFE2L2 (0.49) NFE2L2CYP1A1CYP1B1CYP1A2RELA
SCHEMBL387186 0.80 ERN1 (0.61) NFE2L2CYP1A1CYP1B1CYP1A2RELA
SCHEMBL7483621 0.77 NFE2L2 (0.54) NFE2L2CYP1A1CYP1B1CYP1A2RELA
SCHEMBL7483615 0.77 NFE2L2 (0.54) NFE2L2CYP1A1CYP1B1CYP1A2RELA
SCHEMBL12820112 0.76 ERN1 (0.67) CYP1A1CYP1B1CYP1A2RELAERN1
SCHEMBL20961911 0.76 ALDH1A1 (0.52) NFE2L2CYP1A1CYP1B1CYP1A2ERN1
SCHEMBL18490047 0.76 KMT2A (0.54) NFE2L2CYP1A1CYP1B1CYP1A2RELA
SCHEMBL5764749 0.76 KMT2A (0.54) NFE2L2CYP1A1CYP1B1CYP1A2RELA

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
WO-2018106284-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2018-06-14 WO disclosed