SCHEMBL23664869

SCHEMBL23664869

Cc1cc(S(C)(=O)=O)cc(C(C)C)c1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.36
HSP90AA1 P07900 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.33
PTGS2 P35354 2/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
HPGD P15428 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SLC9A2 Q9UBY0 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
ENPP2 Q13822 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
SCHEMBL25783882 0.83 LMNA (0.34) HTTLMNA
SCHEMBL10301265 0.82 FABP3 (0.44) SLC9A1HTTALDH1A1FABP3FABP4
SCHEMBL23664864 0.81 SLC9A1 (0.35) SLC9A1HSP90AA1HTTALDH1A1PTGS2
SCHEMBL15041660 0.80 LMNA (0.39) ALDH1A1PTGS2LMNAGAAL3MBTL1
SCHEMBL15077045 0.76 HTT (0.51) HTTALDH1A1PTGS2LMNAGAA
SCHEMBL12695017 0.76 ALDH1A1 (0.47) HSP90AA1HTTALDH1A1PTGS2HPGD
SCHEMBL10301256 0.71 FABP3 (0.48) HTTALDH1A1FABP3FABP4FABP5
SCHEMBL17243551 0.71 PTGS2 (0.42) PTGS2
SCHEMBL15840104 0.71 FABP3 (0.35) HTTALDH1A1FABP3FABP4FABP5
SCHEMBL2437905 0.71 G6PD (0.41) PTGS2LMNAGAAL3MBTL1TDP1

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