SCHEMBL30100407

SCHEMBL30100407

NC(=O)c1cccc(-c2ccc(F)c(F)c2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.47
FEN1 P39748 2/20 0.47
HNF4A P41235 1/20 0.44
IDO1 P14902 1/20 0.42
BCAT2 O15382 1/20 0.42
ERN1 O75460 2/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TP53 P04637 1/20 0.40
HSD17B14 Q9BPX1 1/20 0.40
DHODH Q02127 1/20 0.39
CHEK1 O14757 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ALB P02768 1/20 0.39
PDK2 Q15119 1/20 0.38
AR P10275 1/20 0.38
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL28025506 0.88 ALOX5AP (0.47) ALOX5APFEN1IDO1BCAT2KEAP1
SCHEMBL3234092 0.85 ALOX5AP (0.60) ALOX5APFEN1IDO1BCAT2ACMSD
SCHEMBL28025518 0.83 IDO1 (0.46) ALOX5APFEN1IDO1BCAT2ERN1
SCHEMBL18317987 0.83 HNF4A (0.56) HNF4ABCAT2KEAP1NFE2L2HSD17B14
SCHEMBL18317872 0.83 HNF4A (0.60) HNF4ABCAT2KEAP1NFE2L2CHEK1
SCHEMBL2530485 0.81 HSD17B1 (0.49) NFE2L2ACMSDHSD17B1HSD17B2
SCHEMBL1892489 0.78 HNF4A (0.55) HNF4ABCAT2KEAP1NFE2L2CHEK1
SCHEMBL3453931 0.77 HNF4A (0.53) HNF4ABCAT2KEAP1NFE2L2PARP1
SCHEMBL8888647 0.76 HNF4A (0.72) HNF4ABCAT2KEAP1NFE2L2PARP1
SCHEMBL29838619 0.76 HNF4A (0.72) HNF4ABCAT2KEAP1NFE2L2PARP1

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-4093401-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING The Board of Regents of the University of Texas System (US) 2022-11-30 EP disclosed