SCHEMBL5336637

SCHEMBL5336637

Cc1c(SC(C)N(C)C)c2ccccc2n1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.48
ALDH3A1 P30838 2/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.42
PTGDR Q13258 1/20 0.41
NOD1 Q9Y239 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NOD2 Q9HC29 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL5331543 0.91 PCSK9 (0.46) HTR6ALDH3A1NOD1HDAC1HDAC2
SCHEMBL5327664 0.90 HTR6 (0.47) HTR6HDAC1HDAC2HDAC6PCSK9
SCHEMBL5326308 0.89 NOD1 (0.45) HTR6NOD1HDAC1HDAC2HDAC6
SCHEMBL5407866 0.89 PTGDR2 (0.52) HTR6ALDH3A1PTGDR2PTGDRLMNA
SCHEMBL5329965 0.87 PTGDR2 (0.54) HTR6PTGDR2PTGDRLMNA
SCHEMBL5328971 0.87 HTR6 (0.48) HTR6PTGDR2PTGDRNOD1LMNA
SCHEMBL5420513 0.86 PTGDR2 (0.44) HTR6PTGDR2PTGDRLMNA
SCHEMBL5327663 0.84 HTR6 (0.49) HTR6PCSK9LMNAMAPTTSHR
SCHEMBL5328962 0.84 PTGDR2 (0.53) HTR6PTGDR2PTGDRLMNAMAPT
SCHEMBL5330909 0.84 HTR6 (0.52) HTR6PTGDR2PTGDRLMNA

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