SCHEMBL4051395

SCHEMBL4051395

Nc1cccc2c1ccn2S(=O)(=O)c1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
FABP4 P15090 3/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL5698367 0.83 HTR6 (0.56) HTR6CYP3A4FABP4CA1CA2
SCHEMBL5746143 0.79 HTR6 (0.68) HTR6CYP3A4CYP2D6HTR1AHTR1D
SCHEMBL29686864 0.79 HTR6 (0.68) HTR6CYP3A4CYP2D6HTR1AHTR1D
SCHEMBL3427594 0.77 HTT (0.62) HTR6CYP3A4CYP2D6FABP4CA1
SCHEMBL3625322 0.77 FABP4 (0.59) HTR6CYP3A4CYP2D6FABP4
SCHEMBL1537823 0.75 HTR6 (0.76) HTR6CYP3A4CYP2D6HTR1A
SCHEMBL4562485 0.74 HTR6 (0.59) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL260867 0.73 HTR6 (0.68) HTR6CYP3A4CYP2D6HTR1AHTR1D
SCHEMBL30644286 0.73 HTR6 (0.68) HTR6CYP3A4CYP2D6HTR1AHTR1D
SCHEMBL11218072 0.72 HTR6 (0.59) HTR6HTR1AHTR1DHTR1BHTR1F

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-2009034581-A1 SUBSTITUTED INDOLYL COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2009-03-19 WO disclosed