SCHEMBL8021774

SCHEMBL8021774

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.64
GAA P10253 1/20 0.64
HTR6 P50406 15/20 0.62
MAPT P10636 5/20 0.62
TP53 P04637 2/20 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
SCHEMBL8028518 0.88 HTR6 (0.55) RXFP1GAAHTR6MAPTTP53
SCHEMBL8019067 0.88 HTR6 (0.61) RXFP1HTR6MAPTTP53
SCHEMBL8028875 0.84 HTR6 (0.61) RXFP1GAAHTR6MAPTTP53
SCHEMBL8026556 0.83 KDM4E (0.64) RXFP1GAAHTR6MAPTTP53
SCHEMBL8021777 0.82 HTR6 (0.56) RXFP1HTR6MAPTTP53
SCHEMBL8030786 0.80 RXFP1 (0.65) RXFP1GAAHTR6MAPTTP53
SCHEMBL8028243 0.79 HTR6 (0.59) RXFP1GAAHTR6MAPTTP53
SCHEMBL8019579 0.78 HTR6 (0.76) RXFP1HTR6MAPTTP53
SCHEMBL8018356 0.72 HTR6 (0.48) RXFP1GAAHTR6MAPT
SCHEMBL15287960 0.72 HTR6 (1.00) RXFP1HTR6MAPTTP53

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