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Sugi Predict / Compounds / SCHEMBL5330679

SCHEMBL5330679

SCHEMBL5330679

CC(Sc1cn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccc(Br)cc12)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 0.49
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CACNA1B Q00975 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5327029 0.89 HTR6 (0.49) HTR6GAAHPGDALDH1A1L3MBTL1
SCHEMBL5333394 0.88 HTR6 (0.48) HTR6GAAHPGDALDH1A1L3MBTL1
SCHEMBL5331272 0.83 HTR6 (0.53) HTR6CYP3A4CYP2D6
SCHEMBL5331697 0.82 HTR6 (0.55) HTR6GAAHPGDALDH1A1L3MBTL1
SCHEMBL5330681 0.82 HTR6 (0.49) HTR6GAAHPGDALDH1A1L3MBTL1
SCHEMBL5333235 0.81 HTR6 (0.57) HTR6CYP3A4CYP2D6
SCHEMBL5414225 0.79 HTR6 (0.48) HTR6CYP3A4CYP2D6
SCHEMBL5325256 0.79 HTR6 (0.53) HTR6CYP3A4CYP2D6
SCHEMBL5330101 0.79 HTR6 (0.51) HTR6CYP3A4CYP2D6
SCHEMBL5331108 0.79 HTR6 (0.45) HTR6CYP3A4CYP2D6

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