Sugi Predict

Sugi Predict / Compounds / SCHEMBL8029679

SCHEMBL8029679

SCHEMBL8029679

CCc1ccc(S(=O)(=O)c2nnn3c2nc(N(C)Cc2ccccc2)c2cc(Cl)ccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 1.00
▸ THRB P10828 1/20 0.83
▸ RXFP1 Q9HBX9 4/20 0.80
▸ SMN1; SMN2 Q16637 1/20 0.77
▸ MAPT P10636 7/20 0.69
▸ HTR6 P50406 3/20 0.65

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
SCHEMBL8019551 0.83 HTR6 (0.75) TP53THRBRXFP1SMN1; SMN2MAPT
SCHEMBL8019490 0.82 HTR6 (0.72) TP53THRBRXFP1HTR6
SCHEMBL667284 0.82 THRB (0.79) TP53THRBRXFP1SMN1; SMN2MAPT
SCHEMBL8032618 0.81 HTR6 (0.88) TP53RXFP1MAPTHTR6
SCHEMBL8015840 0.80 TP53 (0.67) TP53THRBRXFP1SMN1; SMN2HTR6
SCHEMBL16691052 0.79 THRB (0.75) TP53THRBRXFP1SMN1; SMN2MAPT
SCHEMBL8027148 0.78 RXFP1 (0.65) TP53THRBRXFP1SMN1; SMN2MAPT
SCHEMBL16691103 0.77 THRB (0.71) TP53THRBRXFP1SMN1; SMN2MAPT
SCHEMBL8019549 0.75 HTR6 (1.00) RXFP1MAPTHTR6
SCHEMBL8019579 0.75 HTR6 (0.76) TP53RXFP1MAPTHTR6

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