SCHEMBL8634800

SCHEMBL8634800

CS(=O)(=O)n1cccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.44
HTR6 P50406 8/20 0.43
HTR1A P08908 3/20 0.43
DRD2 P14416 3/20 0.43
HTR2A P28223 3/20 0.43
HTR7 P34969 3/20 0.43
ELAVL1 Q15717 1/20 0.41
AGTR1 P30556 1/20 0.39
PTGS2 P35354 5/20 0.38
PAX8 Q06710 1/20 0.38
PTGS1 P23219 1/20 0.38
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 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
SCHEMBL5696174 0.82 HTR6 (0.43) PCSK9HTR6HTR1ADRD2HTR2A
SCHEMBL7062997 0.82 CA1 (0.45) PCSK9HTR6HTR1ADRD2HTR2A
SCHEMBL7678499 0.77 RAPGEF4 (0.56) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL1156091 0.73 ELAVL1 (0.38) ELAVL1PTGS2PTGS1ALOX5ALDH1A1
SCHEMBL15155241 0.71 HTR6 (0.39) HTR6ELAVL1ALDH1A1
SCHEMBL22104114 0.70 HTR6 (0.38) HTR6ELAVL1AGTR1ALDH1A1MAPT
SCHEMBL29512049 0.70 HTR6 (0.38) HTR6AGTR1
SCHEMBL5776603 0.70 HTR6 (0.38) HTR6ELAVL1
SCHEMBL28125877 0.69 POLB (0.41) HTR6AGTR1ALDH1A1MAPT
Biphenyl SCHEMBL134068 0.69 ALDH1A1 (0.60) HTR6PTGS2ALDH1A1MAPT

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
EP-0946507-A1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1999-10-06 EP disclosed
WO-1998025896-A1 SUBSTITUTED PYRROLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-06-18 WO disclosed