SCHEMBL8028518

SCHEMBL8028518

CNc1nc2c(S(=O)(=O)c3cccc(F)c3)nnn2c2sccc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.55
RXFP1 Q9HBX9 5/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 3/20 0.49
TP53 P04637 1/20 0.47

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
SCHEMBL8021774 0.88 RXFP1 (0.64) HTR6RXFP1GAAMAPTTP53
SCHEMBL8021777 0.88 HTR6 (0.56) HTR6RXFP1MAPTTP53
SCHEMBL8019067 0.88 HTR6 (0.61) HTR6RXFP1MAPTTP53
SCHEMBL8018356 0.84 HTR6 (0.48) HTR6RXFP1GAAMAPT
SCHEMBL8021789 0.83 KDM4E (0.64) HTR6RXFP1GAAMAPTTP53
SCHEMBL8026985 0.79 HTR6 (0.46) HTR6RXFP1GAAMAPT
SCHEMBL8019581 0.78 HTR6 (0.62) HTR6RXFP1MAPTTP53
SCHEMBL8028875 0.72 HTR6 (0.61) HTR6RXFP1GAAMAPTTP53
SCHEMBL8028247 0.71 HTR6 (0.48) HTR6RXFP1MAPT
SCHEMBL8019456 0.71 KDM4E (0.64) HTR6RXFP1GAAMAPTTP53

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