SCHEMBL5331108

SCHEMBL5331108

CC(C)(N)CSc1cn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.45
DYRK1A Q13627 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
DDR1 Q08345 1/20 0.36
RORC P51449 1/20 0.35
HTT P42858 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
SCHEMBL5330681 0.84 HTR6 (0.49) HTR6
SCHEMBL5330679 0.79 HTR6 (0.49) HTR6CYP3A4CYP2D6
SCHEMBL5327034 0.72 HTR6 (0.49) HTR6
SCHEMBL5329599 0.72 HTR6 (0.53) HTR6
SCHEMBL5333397 0.71 HTR6 (0.53) HTR6
SCHEMBL18581022 0.71 HTR6 (0.47) HTR6CYP3A4CYP2D6
SCHEMBL16619154 0.69 KDM4E (0.44) HTR6RORCHTT
SCHEMBL12096636 0.69 HTR6 (0.46) HTR6CYP3A4CYP2D6HTT
SCHEMBL28857521 0.68 RORC (0.57) HTR6RORCHTT
SCHEMBL16619008 0.67 PLK1 (0.55) HTR6DDR1RORC

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 claimed