Sugi Predict

Sugi Predict / Compounds / SCHEMBL8030657

SCHEMBL8030657

SCHEMBL8030657

O=S(=O)(c1ccc(Cl)cc1)c1nnn2c1nc(NC1CCCCC1)c1sccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 15/20 1.00
▸ MAPT P10636 12/20 1.00
▸ RXFP1 Q9HBX9 5/20 1.00
▸ POLB P06746 2/20 1.00
▸ TP53 P04637 2/20 0.98

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
SCHEMBL8033362 0.91 MAPT (1.00) HTR6MAPTRXFP1POLBTP53
SCHEMBL8030781 0.81 RXFP1 (0.85) HTR6MAPTRXFP1POLBTP53
SCHEMBL8033802 0.80 MAPT (1.00) HTR6MAPTRXFP1POLBTP53
SCHEMBL8031521 0.80 HTR6 (1.00) HTR6MAPTRXFP1POLBTP53
SCHEMBL8027731 0.79 HTR6 (1.00) HTR6MAPTRXFP1POLBTP53
SCHEMBL15287661 0.77 HTR6 (1.00) HTR6MAPTRXFP1TP53
SCHEMBL15287806 0.77 HTR6 (1.00) HTR6MAPTRXFP1TP53
SCHEMBL8030079 0.76 HTR6 (0.75) HTR6MAPTRXFP1POLBTP53
SCHEMBL15285303 0.76 HTR6 (0.83) HTR6MAPTRXFP1POLBTP53
SCHEMBL15288067 0.75 HTR6 (0.90) HTR6MAPTRXFP1POLBTP53

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