SCHEMBL23057258

SCHEMBL23057258

Cc1ccccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
KEAP1 Q14145 1/20 0.69
TSHR P16473 1/20 0.62
PKM P14618 2/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 2/20 0.57
USP2 O75604 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
NOD2 Q9HC29 1/20 0.57
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
HPGD P15428 1/20 0.55
THRB P10828 1/20 0.53

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
SCHEMBL834586 0.87 ALDH1A1 (0.75) ALDH1A1KEAP1TSHRPKMMEN1
SCHEMBL4623054 0.87 ALDH1A1 (0.75) ALDH1A1KEAP1TSHRMEN1KMT2A
SCHEMBL1116405 0.87 ALDH1A1 (0.74) ALDH1A1KEAP1TSHRMEN1KMT2A
SCHEMBL30102910 0.87 ALDH1A1 (0.74) ALDH1A1KEAP1TSHRMEN1KMT2A
SCHEMBL3081594 0.84 ALDH1A1 (0.71) ALDH1A1KEAP1TSHRPKMMEN1
SCHEMBL1592863 0.84 ALDH1A1 (0.71) ALDH1A1KEAP1TSHRMEN1KMT2A
SCHEMBL13875339 0.84 ALDH1A1 (0.71) ALDH1A1KEAP1TSHRMEN1KMT2A
SCHEMBL2240809 0.84 ALDH1A1 (0.71) ALDH1A1KEAP1TSHRPKMMEN1
SCHEMBL31681420 0.84 ALDH1A1 (0.71) ALDH1A1KEAP1TSHRMEN1KMT2A
SCHEMBL7562043 0.84 ALDH1A1 (1.00) ALDH1A1KEAP1TSHRMEN1KMT2A

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-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 WO disclosed