SCHEMBL5333545

SCHEMBL5333545

Cc1ccc(S(=O)(=O)n2c(C)c(SCCN(C)C)c3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 3/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL5331263 0.93 PTGDR2 (0.44) HTR6PTGDR2
SCHEMBL5326887 0.91 HTR6 (0.40) HTR6PTGDR2
SCHEMBL5326862 0.91 HTR6 (0.49) HTR6PTGDR2LMNASMN1; SMN2POLB
SCHEMBL5332248 0.89 HTR6 (0.44) HTR6PTGDR2ALDH1A1MAPTLMNA
SCHEMBL5328966 0.87 PTGDR2 (0.55) HTR6PTGDR2MAPTLMNA
SCHEMBL5329816 0.85 HTR6 (0.41) HTR6PTGDR2MAPT
SCHEMBL5330206 0.85 HTR6 (0.48) HTR6PTGDR2MAPTLMNA
SCHEMBL5325199 0.84 HTR6 (0.51) HTR6PTGDR2MAPTPOLB
SCHEMBL5332004 0.83 HTR6 (0.58) HTR6PTGDR2
SCHEMBL5424103 0.83 DDR1 (0.35) HTR6PTGDR2PKM

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