SCHEMBL23664864

SCHEMBL23664864

Cc1cc(S(C)(=O)=O)cc(C(C)C)c1I

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
LMNA P02545 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
ACHE P22303 1/20 0.32
FABP3 P05413 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRB2 P47870 1/20 0.31
GAA P10253 2/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL23664869 0.81 SLC9A1 (0.36) SLC9A1LMNAHSP90AA1HTTHRH4
SCHEMBL12695017 0.73 ALDH1A1 (0.47) LMNAHSP90AA1HTTPTGS2ALDH1A1
SCHEMBL15077045 0.73 HTT (0.51) LMNAHTTHRH4PTGS2ALDH1A1
SCHEMBL26091408 0.73 ENPP2 (0.39) LMNAPTGS2ALDH1A1GAA
SCHEMBL23664867 0.72 LMNA (0.40) LMNAHSP90AA1HRH4PTGS2ALDH1A1
SCHEMBL26812067 0.68 LMNA (0.43) SLC9A1LMNAHSP90AA1HRH4PTGS2
SCHEMBL15041660 0.68 LMNA (0.39) LMNAPTGS2ALDH1A1GAAL3MBTL1
SCHEMBL1368631 0.68 AKR1C3 (0.39) SLC9A1LMNAHSP90AA1HRH4PTGS2
SCHEMBL18541985 0.67 TTR (0.41) LMNAHTTALDH1A1HPGDGAA
SCHEMBL12248188 0.67 AKR1C3 (0.41) LMNAPTGS2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022135591-A1 ARYL OR HETEROARYL PYRIDONE OR PYRIMIDONE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2022-06-30 WO disclosed
WO-2021249563-A1 ARYL OR HETEROARYL PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2021-12-16 WO disclosed
WO-2021143693-A1 ARYL OR HETEROARYL PYRIDONE OR PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 苏州泽璟生物制药股份有限公司 2021-07-22 WO disclosed