Sugi Predict

Sugi Predict / Compounds / SCHEMBL8027731

SCHEMBL8027731

SCHEMBL8027731

Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(NC2CCCC2)c2sccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 17/20 1.00
▸ MAPT P10636 6/20 1.00
▸ TP53 P04637 1/20 0.98
▸ POLB P06746 1/20 0.98
▸ RXFP1 Q9HBX9 3/20 0.69

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
SCHEMBL8033802 0.99 MAPT (1.00) HTR6MAPTTP53POLBRXFP1
SCHEMBL8018272 0.82 HTR6 (1.00) HTR6MAPTTP53POLBRXFP1
SCHEMBL8028821 0.80 HTR6 (1.00) HTR6MAPTTP53POLBRXFP1
SCHEMBL15287884 0.80 HTR6 (1.00) HTR6MAPTTP53RXFP1
SCHEMBL15285384 0.80 HTR6 (0.84) HTR6MAPTTP53RXFP1
SCHEMBL8028930 0.79 HTR6 (1.00) HTR6MAPTTP53RXFP1
SCHEMBL15287775 0.79 HTR6 (1.00) HTR6MAPTTP53POLBRXFP1
SCHEMBL8033362 0.79 MAPT (1.00) HTR6MAPTTP53POLBRXFP1
SCHEMBL8030657 0.79 HTR6 (1.00) HTR6MAPTTP53POLBRXFP1
SCHEMBL15287709 0.79 HTR6 (0.85) HTR6MAPTTP53POLBRXFP1

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