SCHEMBL5328971

SCHEMBL5328971

COc1ccc(S(=O)(=O)n2c(C)c(SC(C)N(C)C)c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.48
CXCL8 P10145 1/20 0.43
NOD1 Q9Y239 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.41
PTGDR Q13258 1/20 0.41
KEAP1 Q14145 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PKM P14618 1/20 0.38

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 0.89 HTR6 (0.51) HTR6PTGDR2PTGDRALDH1A1LMNA
SCHEMBL5331543 0.89 PCSK9 (0.46) HTR6CXCL8NOD1ALDH1A1HTT
SCHEMBL5327664 0.88 HTR6 (0.47) HTR6LMNAHTTPKM
SCHEMBL5326308 0.87 NOD1 (0.45) HTR6NOD1ALDH1A1LMNATSHR
SCHEMBL5336637 0.87 HTR6 (0.48) HTR6NOD1PTGDR2PTGDRLMNA
SCHEMBL5327986 0.86 HTR6 (0.52) HTR6PTGDR2PTGDRALDH1A1LMNA
SCHEMBL5425727 0.85 PTGDR2 (0.56) HTR6PTGDR2PTGDRLMNA
SCHEMBL5331999 0.85 HTR6 (0.51) HTR6PTGDR2PTGDR
SCHEMBL5327663 0.85 HTR6 (0.49) HTR6ALDH1A1LMNATSHRHTT
SCHEMBL5331610 0.84 HTR6 (0.52) 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