SCHEMBL5330258

SCHEMBL5330258

Cc1ccc(S(=O)(=O)n2cc(SC(C)N(C)C)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
UBE2N P61088 1/20 0.55
HTR6 P50406 10/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
KLK7 P49862 3/20 0.49
ALOX5 P09917 2/20 0.47
PTGS2 P35354 1/20 0.47
ALK Q9UM73 1/20 0.46
CYP19A1 P11511 2/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR1F P30939 1/20 0.44
HTR7 P34969 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL5336517 0.91 HTR6 (0.58) HTR6L3MBTL1HTR1ADRD2HTR1D
SCHEMBL5330251 0.89 HTR6 (0.50) KDM4EUBE2NHTR6L3MBTL1HTR1A
SCHEMBL5330295 0.89 HTR6 (0.54) KDM4EUBE2NHTR6L3MBTL1KLK7
SCHEMBL5331226 0.87 HTR6 (0.57) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5327660 0.82 HTR6 (0.59) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5333394 0.80 HTR6 (0.48) HTR6L3MBTL1HTR1ADRD2HTR1D
SCHEMBL5330866 0.80 HTR6 (0.50) HTR6KLK7
SCHEMBL5330259 0.78 HTR6 (0.66) KDM4EUBE2NHTR6L3MBTL1KLK7
SCHEMBL5334191 0.78 HTR6 (0.45) HTR6KLK7
SCHEMBL5328027 0.77 HTR6 (0.61) HTR6L3MBTL1HTR1ADRD2HTR1D

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
WO-2007020653-A1 THIOETHER DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2007-02-22 WO claimed
WO-2007020653-A1 THIOETHER DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2007-02-22 WO disclosed