SCHEMBL8030787

SCHEMBL8030787

Cc1ccc2c(c1)c(N(C)C)nc1c(S(=O)(=O)c3cccc(Cl)c3)nnn12

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.57
HTR6 P50406 9/20 0.57
GAA P10253 1/20 0.54
TP53 P04637 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL8034001 0.92 RXFP1 (0.62) RXFP1HTR6TP53SMN1; SMN2MAPT
SCHEMBL8019460 0.89 HTR6 (0.60) RXFP1HTR6GAATP53MAPT
SCHEMBL8030786 0.84 RXFP1 (0.65) RXFP1HTR6GAATP53MAPT
SCHEMBL8028875 0.80 HTR6 (0.61) RXFP1HTR6GAATP53MAPT
SCHEMBL10123256 0.78 THRB (0.64) RXFP1HTR6GAATP53MAPT
SCHEMBL8019551 0.77 HTR6 (0.75) RXFP1HTR6TP53SMN1; SMN2MAPT
SCHEMBL8019463 0.77 HPGD (0.53) RXFP1HTR6GAATP53MAPT
SCHEMBL8018278 0.77 HPGD (0.60) RXFP1HTR6GAATP53MAPT
SCHEMBL667284 0.75 THRB (0.79) RXFP1HTR6TP53SMN1; SMN2MAPT
SCHEMBL8026556 0.75 KDM4E (0.64) RXFP1HTR6GAATP53MAPT

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