SCHEMBL31633461

SCHEMBL31633461

Cc1cccc(NS(C)(=O)=O)c1C=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.65
NFE2L2 Q16236 1/20 0.65
GLO1 Q04760 2/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NR3C1 P04150 3/20 0.44
PGR P06401 2/20 0.44
NR3C2 P08235 2/20 0.44
AR P10275 2/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 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
SCHEMBL30505727 0.80 ALDH1A1 (0.55) KEAP1NFE2L2GLO1PTGS1PTGS2
SCHEMBL31562182 0.80 KEAP1 (0.49) KEAP1NFE2L2GLO1L3MBTL1NR3C1
SCHEMBL15108064 0.79 KEAP1 (1.00) KEAP1NFE2L2GLO1PTGS1PTGS2
SCHEMBL28299609 0.79 KEAP1 (0.41) KEAP1NFE2L2L3MBTL1HTTALDH1A1
SCHEMBL1476351 0.78 KEAP1 (0.70) KEAP1NFE2L2GLO1PTGS1PTGS2
SCHEMBL11516751 0.76 KEAP1 (0.68) KEAP1NFE2L2GLO1PTGS1PTGS2
SCHEMBL1290987 0.76 KEAP1 (0.67) KEAP1NFE2L2GLO1PTGS1PTGS2
SCHEMBL9686322 0.76 KEAP1 (0.67) KEAP1NFE2L2GLO1PTGS1PTGS2
SCHEMBL66979 0.75 ALDH1A1 (0.52) KEAP1NFE2L2ALDH1A1KMT2AKDM4E
SCHEMBL2009844 0.74 KEAP1 (0.38) KEAP1NFE2L2ALDH1A1KMT2AKDM4E

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
CN-116675635-B Method for synthesizing 3-vinyl indole-2-ketone derivative with high stereoselectivity 常州大学 2025-06-24 CN disclosed