SCHEMBL8031178

SCHEMBL8031178

O=S(=O)(c1ccc(Br)cc1)c1nnn2c1nc(NCc1ccco1)c1sccc12

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.85
MAPT P10636 9/20 0.76
RXFP1 Q9HBX9 6/20 0.76
TP53 P04637 4/20 0.76

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
SCHEMBL15285229 0.91 HTR6 (1.00) HTR6MAPTRXFP1TP53
SCHEMBL15287800 0.91 HTR6 (1.00) HTR6MAPTRXFP1TP53
SCHEMBL15285589 0.90 HTR6 (0.84) HTR6MAPTRXFP1TP53
SCHEMBL15287812 0.89 HTR6 (0.83) HTR6MAPTRXFP1TP53
SCHEMBL15285212 0.87 HTR6 (1.00) HTR6MAPTRXFP1
SCHEMBL8027975 0.86 MAPT (1.00) HTR6MAPTRXFP1TP53
SCHEMBL15285442 0.81 HTR6 (0.79) HTR6MAPTRXFP1
SCHEMBL8018268 0.78 RXFP1 (0.83) HTR6MAPTRXFP1TP53
SCHEMBL15287958 0.78 MAPT (0.84) HTR6MAPTRXFP1TP53
SCHEMBL15287661 0.78 HTR6 (1.00) HTR6MAPTRXFP1TP53

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