SCHEMBL5331610

SCHEMBL5331610

COc1ccc2c(c1)c(SC(C)N(C)C)c(C)n2S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.52
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PAX8 Q06710 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
SCHEMBL5332897 0.95 HTR6 (0.51) HTR6PTGDRPTGDR2
SCHEMBL5327986 0.94 HTR6 (0.52) HTR6PTGDRPTGDR2
SCHEMBL5331999 0.93 HTR6 (0.51) HTR6PTGDRPTGDR2
SCHEMBL5332685 0.91 HTR6 (0.51) HTR6PTGDRPTGDR2
SCHEMBL5327797 0.91 HTR6 (0.49) HTR6PTGDRPTGDR2
SCHEMBL5330799 0.89 HTR6 (0.45) HTR6PTGDR2
SCHEMBL5330691 0.87 HTR6 (0.46) HTR6PTGDRPTGDR2
SCHEMBL5425727 0.87 PTGDR2 (0.56) HTR6PTGDRPTGDR2
SCHEMBL5328556 0.85 HTR6 (0.50) HTR6PTGDRPTGDR2
SCHEMBL5329812 0.85 HTR6 (0.43) HTR6PTGDR2

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 1 patent. 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 disclosed