SCHEMBL5336517

SCHEMBL5336517

CC(Sc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.58
HTR1A P08908 2/20 0.52
DRD2 P14416 2/20 0.52
HTR1D P28221 2/20 0.52
HTR1B P28222 2/20 0.52
HTR1F P30939 2/20 0.52
HTR7 P34969 2/20 0.52
DRD3 P35462 2/20 0.52
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PLK1 P53350 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TNF P01375 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 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
SCHEMBL5330258 0.91 KDM4E (0.55) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5330295 0.90 HTR6 (0.54) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5330251 0.90 HTR6 (0.50) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5331226 0.88 HTR6 (0.57) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5333394 0.85 HTR6 (0.48) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5328027 0.84 HTR6 (0.61) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5330866 0.83 HTR6 (0.50) HTR6
SCHEMBL5334191 0.78 HTR6 (0.45) HTR6
SCHEMBL5326098 0.76 HTR6 (0.57) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5336519 0.76 HTR6 (0.64) HTR6HTR1ADRD2HTR1DHTR1B

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