SCHEMBL29031237

SCHEMBL29031237

COc1ccc(S(=O)(=O)Nc2ccc(N(c3ccc(C)cc3)[SH](=O)=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
MAPT P10636 5/20 0.62
MAPK1 P28482 3/20 0.62
GAA P10253 3/20 0.62
GFER P55789 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
LMNA P02545 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
MCL1 Q07820 1/20 0.59
PKM P14618 2/20 0.56
FFAR1 O14842 1/20 0.56
PGR P06401 1/20 0.56
CYP19A1 P11511 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
FFAR4 Q5NUL3 2/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51

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
SCHEMBL806437 0.87 GAA (0.76) ALDH1A1MAPTMAPK1GAAGFER
SCHEMBL30434229 0.87 GAA (0.76) ALDH1A1MAPTMAPK1GAAGFER
SCHEMBL7564170 0.87 GAA (0.76) ALDH1A1MAPTMAPK1GAAGFER
SCHEMBL29031227 0.85 MAPK1 (0.57) ALDH1A1MAPTMAPK1GAAGFER
SCHEMBL790294 0.81 GAA (0.86) ALDH1A1MAPTMAPK1GAAGFER
SCHEMBL8752441 0.80 ALDH1A1 (0.72) ALDH1A1MAPTMAPK1GAAGFER
SCHEMBL6741160 0.77 ALDH1A1 (0.67) ALDH1A1MAPTMAPK1GAAGFER
SCHEMBL11158903 0.77 ALDH1A1 (1.00) ALDH1A1MAPTMAPK1GAAGFER
SCHEMBL1471967 0.77 FFAR1 (0.88) ALDH1A1MAPTMAPK1GAAGFER
SCHEMBL32679643 0.77 GAA (0.78) ALDH1A1MAPTMAPK1GAAGFER

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-113999148-B N- (4- (substituted sulfonyl amino) phenyl) sulfonamide compound and application thereof 浙江省中医药研究院 2023-06-06 CN disclosed
CN-113999148-A N- (4- (substituted sulfonyl amino) phenyl) sulfonamide compound and application thereof 浙江省中医药研究院 2022-02-01 CN disclosed