Sugi Predict

Sugi Predict / Compounds / SCHEMBL8034015

SCHEMBL8034015

SCHEMBL8034015

Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N2CCOCC2)c2sccc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 1.00
▸ RXFP1 Q9HBX9 6/20 1.00
▸ MAPT P10636 4/20 0.62
▸ TP53 P04637 1/20 0.61
▸ POLB P06746 1/20 0.61

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
SCHEMBL8016806 0.91 RXFP1 (1.00) HTR6RXFP1MAPTTP53POLB
SCHEMBL8028821 0.91 HTR6 (1.00) HTR6RXFP1MAPTTP53POLB
SCHEMBL8028237 0.90 HTR6 (0.85) HTR6RXFP1MAPTTP53POLB
SCHEMBL8019073 0.88 RXFP1 (0.84) HTR6RXFP1MAPTTP53POLB
SCHEMBL8027276 0.85 RXFP1 (0.79) HTR6RXFP1MAPTTP53POLB
SCHEMBL8018164 0.84 HTR6 (0.83) HTR6RXFP1MAPTTP53POLB
SCHEMBL8026961 0.80 RXFP1 (1.00) HTR6RXFP1MAPTTP53
SCHEMBL8018275 0.80 RXFP1 (0.82) HTR6RXFP1MAPTTP53POLB
SCHEMBL8030163 0.79 HTR6 (1.00) HTR6RXFP1MAPTPOLB
SCHEMBL8027731 0.77 HTR6 (1.00) HTR6RXFP1MAPTTP53POLB

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