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SCHEMBL5334906

SCHEMBL5334906

Cc1c(SC(C)N(C)C)c2cc(Br)ccc2n1S(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 7/20 0.40
▸ PTGDR2 Q9Y5Y4 8/20 0.34
▸ PTGDR Q13258 4/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ ACLY P53396 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL5402335 0.94 PTGDR2 (0.38) HTR6PTGDR2PTGDRALDH1A1MAPT
SCHEMBL5424101 0.87 PKM (0.35) HTR6PTGDR2PTGDRACLY
SCHEMBL5420513 0.87 PTGDR2 (0.44) HTR6PTGDR2PTGDRCYP3A4CYP2D6
SCHEMBL5328556 0.85 HTR6 (0.50) HTR6PTGDR2PTGDR
SCHEMBL5334910 0.82 HTR6 (0.41) HTR6PTGDR2PTGDRNMT1ALDH1A1
SCHEMBL5330799 0.82 HTR6 (0.45) HTR6PTGDR2ACLYMAPT
SCHEMBL5331513 0.82 ACLY (0.40) HTR6PTGDR2PTGDRACLY
SCHEMBL5407866 0.81 PTGDR2 (0.52) HTR6PTGDR2PTGDR
SCHEMBL5325372 0.80 HTR6 (0.48) HTR6PTGDR2PTGDRACLY
SCHEMBL5329812 0.80 HTR6 (0.43) HTR6PTGDR2MAPT

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