SCHEMBL29757481

SCHEMBL29757481

Cc1nc(Br)ccc1NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.42
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 6/20 0.40
PTGS2 P35354 5/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
EP300 Q09472 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL23363684 1.00 GLO1 (0.42) GLO1KEAP1NFE2L2L3MBTL1PTGS1
SCHEMBL1474163 0.81 GLO1 (0.42) GLO1KEAP1NFE2L2L3MBTL1PTGS1
SCHEMBL29757472 0.80 ALDH1A1 (0.40) GLO1KEAP1NFE2L2L3MBTL1PTGS1
SCHEMBL23363414 0.80 ALDH1A1 (0.40) GLO1KEAP1NFE2L2L3MBTL1PTGS1
SCHEMBL23363333 0.80 PIK3CD (0.41) GLO1KEAP1NFE2L2L3MBTL1PTGS1
SCHEMBL23363405 0.80 KEAP1 (0.40) GLO1KEAP1NFE2L2L3MBTL1PTGS1
SCHEMBL29757446 0.77 PIK3CD (0.44) PTGS1PTGS2
SCHEMBL29757442 0.77 GLO1 (0.40) GLO1KEAP1NFE2L2L3MBTL1PTGS1
SCHEMBL23362677 0.77 PIK3CD (0.44) PTGS1PTGS2
SCHEMBL23362738 0.77 GLO1 (0.40) GLO1KEAP1NFE2L2L3MBTL1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728168-B Triazole carbamate pyridylsulfonamides as LPA receptor antagonists and their use 吉利德科学公司 2024-04-09 CN disclosed
CN-114728168-A Triazolecarbamate pyridylsulfonamides as LPA receptor antagonists and their use 吉利德科学公司 2022-07-08 CN disclosed