SCHEMBL8019100

SCHEMBL8019100

O=S(=O)(c1cccc(Cl)c1)c1nnn2c1ncc1ccccc12

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.57
RXFP1 Q9HBX9 4/20 0.52
MAPT P10636 4/20 0.52
GAA P10253 1/20 0.52
TP53 P04637 1/20 0.49

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
SCHEMBL8019079 0.86 KDM4E (0.51) HTR6RXFP1MAPTGAATP53
SCHEMBL8021669 0.86 HPGD (0.45) HTR6RXFP1MAPTGAATP53
SCHEMBL8028243 0.81 HTR6 (0.59) HTR6RXFP1MAPTGAATP53
SCHEMBL8030043 0.80 HTR6 (0.50) HTR6RXFP1MAPTGAATP53
SCHEMBL8026556 0.77 KDM4E (0.64) HTR6RXFP1MAPTGAATP53
SCHEMBL8019460 0.77 HTR6 (0.60) HTR6RXFP1MAPTGAATP53
SCHEMBL8019523 0.76 HTR6 (0.70) HTR6RXFP1MAPTTP53
SCHEMBL8019526 0.73 THRB (0.65) HTR6RXFP1MAPTTP53
SCHEMBL8029242 0.73 CRHBP (0.74) HTR6RXFP1MAPTTP53
SCHEMBL8019551 0.72 HTR6 (0.75) HTR6RXFP1MAPTTP53

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