SCHEMBL31405764

SCHEMBL31405764

Cc1ccc(S(=O)(=O)n2cc(I)c3nc(Br)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
ALDH3A1 P30838 2/20 0.43
NOD1 Q9Y239 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KDM4E B2RXH2 1/20 0.41
UBE2N P61088 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.39
HTR6 P50406 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KLK7 P49862 2/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
CXCL8 P10145 1/20 0.36
GAA P10253 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
SCHEMBL31617375 0.86 L3MBTL1 (0.42) L3MBTL1ALDH3A1NOD1POLBHTT
SCHEMBL29414742 0.83 L3MBTL1 (0.42) L3MBTL1ALDH3A1NOD1POLBHTT
SCHEMBL22632588 0.83 L3MBTL1 (0.42) L3MBTL1ALDH3A1NOD1POLBHTT
SCHEMBL12614982 0.81 L3MBTL1 (0.41) L3MBTL1ALDH3A1NOD1POLBHTT
SCHEMBL31405722 0.80 KLK7 (0.45) L3MBTL1POLBHTTCA1CA2
SCHEMBL29609087 0.80 L3MBTL1 (0.42) L3MBTL1ALDH3A1NOD1POLBHTT
SCHEMBL721584 0.80 L3MBTL1 (0.42) L3MBTL1ALDH3A1NOD1POLBHTT
SCHEMBL12615300 0.78 MEN1 (0.40) L3MBTL1ALDH3A1NOD1POLBHTT
SCHEMBL9904294 0.77 L3MBTL1 (0.40) L3MBTL1ALDH3A1NOD1POLBHTT
SCHEMBL9904552 0.77 L3MBTL1 (0.42) L3MBTL1ALDH3A1NOD1POLBHTT

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-2024260309-A1 THR-β RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE METHOD THEREFOR 西威埃医药技术(上海)有限公司 2024-12-26 WO disclosed