Sugi Predict

Sugi Predict / Compounds / SCHEMBL5330101

SCHEMBL5330101

SCHEMBL5330101

CC(Sc1cn(S(=O)(=O)c2ccc(Br)cc2)c2ccc(F)cc12)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 18/20 0.51
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ KLK7 P49862 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
SCHEMBL5331272 0.94 HTR6 (0.53) HTR6CYP3A4CYP2D6KLK7
SCHEMBL5334191 0.93 HTR6 (0.45) HTR6CYP3A4CYP2D6KLK7
SCHEMBL5327720 0.89 HTR6 (0.53) HTR6CYP3A4CYP2D6
SCHEMBL5334694 0.88 HTR6 (0.48) HTR6CYP3A4CYP2D6
SCHEMBL5325851 0.85 HTR6 (0.52) HTR6CYP3A4CYP2D6
SCHEMBL5333235 0.85 HTR6 (0.57) HTR6CYP3A4CYP2D6KLK7
SCHEMBL5414225 0.83 HTR6 (0.48) HTR6CYP3A4CYP2D6
SCHEMBL5330297 0.83 HTR6 (0.52) HTR6CYP3A4CYP2D6
SCHEMBL5328661 0.83 HTR6 (0.52) HTR6CYP3A4CYP2D6KLK7
SCHEMBL5330251 0.82 HTR6 (0.50) 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