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Sugi Predict / Compounds / SCHEMBL8033362

SCHEMBL8033362

SCHEMBL8033362

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 1.00
▸ HTR6 P50406 15/20 0.83
▸ RXFP1 Q9HBX9 5/20 0.83
▸ POLB P06746 2/20 0.83
▸ TP53 P04637 2/20 0.81

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
SCHEMBL8030657 0.91 HTR6 (1.00) MAPTHTR6RXFP1POLBTP53
SCHEMBL8018268 0.82 RXFP1 (0.83) MAPTHTR6RXFP1POLBTP53
SCHEMBL8028080 0.80 HTR6 (1.00) MAPTHTR6RXFP1POLBTP53
SCHEMBL8027731 0.79 HTR6 (1.00) MAPTHTR6RXFP1POLBTP53
SCHEMBL8027975 0.77 MAPT (1.00) MAPTHTR6RXFP1TP53
SCHEMBL8030079 0.76 HTR6 (0.75) MAPTHTR6RXFP1POLBTP53
SCHEMBL8019324 0.75 RXFP1 (1.00) MAPTHTR6RXFP1TP53
SCHEMBL8031178 0.75 HTR6 (0.85) MAPTHTR6RXFP1TP53
SCHEMBL8016803 0.74 HTR6 (0.83) MAPTHTR6RXFP1TP53
SCHEMBL8030932 0.74 RXFP1 (0.79) MAPTHTR6RXFP1POLBTP53

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