SCHEMBL5336640

SCHEMBL5336640

Cc1c(SCCN(C)C)c2ccccc2n1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.50
ALDH3A1 P30838 1/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.43
PTGDR Q13258 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL5331545 0.91 HTR6 (0.51) HTR6ALDH3A1HDAC1HDAC2HDAC6
SCHEMBL5327669 0.89 HTR6 (0.45) HTR6HDAC1HDAC2HDAC6HTR1A
SCHEMBL5407869 0.89 PTGDR2 (0.54) HTR6PTGDR2PTGDR
SCHEMBL5326312 0.87 NOD1 (0.42) HTR6HDAC1HDAC2HDAC6NOD1
SCHEMBL5331879 0.87 HTR6 (0.55) HTR6PTGDR2PTGDRHDAC1HDAC2
SCHEMBL5329968 0.87 PTGDR2 (0.56) HTR6PTGDR2PTGDRHTR1ADRD2
SCHEMBL5420518 0.85 PTGDR2 (0.45) HTR6PTGDR2PTGDR
SCHEMBL5328966 0.85 PTGDR2 (0.55) HTR6PTGDR2PTGDR
SCHEMBL5327666 0.85 HTR6 (0.48) HTR6HDAC1HDAC2HDAC6
SCHEMBL5330910 0.84 HTR6 (0.51) HTR6PTGDR2PTGDR

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