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SCHEMBL5328799

SCHEMBL5328799

[CH2]C[S+]([O-])c1cn(S(=O)(=O)c2ccc(F)cc2)c2ccc(Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 18/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ CYP2D6 P10635 3/20 0.56
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ KLK7 P49862 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
SCHEMBL5331085 0.86 HTR6 (0.50) HTR6CYP3A4CYP2D6AKR1C3AKR1C1
SCHEMBL5304701 0.86 HTR6 (0.49) HTR6CYP3A4CYP2D6
SCHEMBL5334644 0.86 HTR6 (0.59) HTR6CYP3A4CYP2D6KLK7
SCHEMBL5467982 0.85 HTR6 (0.53) HTR6CYP3A4CYP2D6KLK7
SCHEMBL5332274 0.81 HTR6 (0.55) HTR6CYP3A4CYP2D6
SCHEMBL947423 0.76 HTR6 (0.66) HTR6CYP3A4CYP2D6AKR1C3AKR1C1
SCHEMBL947828 0.76 HTR6 (0.66) HTR6CYP3A4CYP2D6
SCHEMBL5331844 0.76 HTR6 (0.56) HTR6CYP3A4CYP2D6
SCHEMBL948577 0.75 HTR6 (0.58) HTR6CYP3A4CYP2D6AKR1C3AKR1C1
SCHEMBL5465599 0.72 HTR6 (0.58) HTR6

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