SCHEMBL8037799

SCHEMBL8037799

CCc1ccc(S(=O)(=O)c2nnn3c2nc(N(CC)Cc2ccccc2)c2sccc23)cc1

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.87
THRB P10828 1/20 0.68
TP53 P04637 1/20 0.66
MAPT P10636 1/20 0.66
POLB P06746 1/20 0.61
RXFP1 Q9HBX9 1/20 0.60

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
SCHEMBL8032618 0.90 HTR6 (0.88) HTR6TP53MAPTPOLBRXFP1
SCHEMBL8029076 0.83 HTR6 (1.00) HTR6TP53MAPTRXFP1
SCHEMBL8016803 0.82 HTR6 (0.83) HTR6TP53MAPTRXFP1
SCHEMBL8028235 0.82 HTR6 (0.89) HTR6MAPTRXFP1
SCHEMBL15287921 0.81 HTR6 (0.85) HTR6TP53MAPTPOLBRXFP1
SCHEMBL8035052 0.80 HTR6 (0.85) HTR6THRBTP53MAPTRXFP1
SCHEMBL15285592 0.79 HTR6 (0.70) HTR6TP53MAPTPOLBRXFP1
SCHEMBL8033357 0.78 HTR6 (1.00) HTR6MAPTRXFP1
SCHEMBL16507173 0.78 HTR6 (0.65) HTR6TP53MAPTPOLBRXFP1
SCHEMBL15287876 0.77 HTR6 (0.84) HTR6TP53MAPTPOLBRXFP1

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-2009093934-A2 SUBSTITUTED 3-SULPHONYL-[1,2,3]TRIAZOLO [1,5-A]PYRIMIDINES-ANTAGONISTS OF SEROTONIN 5-HT6 RECEPTORS, MEDICINAL SUBSTANCE, PHARMACEUTICAL COMPOSITION, MEDICINAL PREPARATION AND METHODS FOR THE PRODUCTION THEREOF ALLA CHEM, LLC (US) 2009-07-30 WO disclosed