SCHEMBL8029076

SCHEMBL8029076

CN(Cc1ccccc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 1.00
TP53 P04637 1/20 0.65
MAPT P10636 1/20 0.65
RXFP1 Q9HBX9 1/20 0.65

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
SCHEMBL8028235 0.94 HTR6 (0.89) HTR6MAPTRXFP1
SCHEMBL8032618 0.94 HTR6 (0.88) HTR6TP53MAPTRXFP1
SCHEMBL8035052 0.92 HTR6 (0.85) HTR6TP53MAPTRXFP1
SCHEMBL8019549 0.91 HTR6 (1.00) HTR6MAPTRXFP1
SCHEMBL8033357 0.90 HTR6 (1.00) HTR6MAPTRXFP1
SCHEMBL8028973 0.84 HTR6 (0.73) HTR6TP53MAPTRXFP1
SCHEMBL8019490 0.84 HTR6 (0.72) HTR6TP53RXFP1
SCHEMBL8037799 0.83 HTR6 (0.87) HTR6TP53MAPTRXFP1
SCHEMBL8030780 0.79 HTR6 (0.65) HTR6TP53MAPTRXFP1
SCHEMBL8027974 0.79 HTR6 (0.69) HTR6TP53MAPTRXFP1

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