SCHEMBL4734831

SCHEMBL4734831

Cc1cc2c(cc1S(=O)(=O)NCCC#N)S(=O)(=O)c1ccccc1C21CCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SFRP1 Q8N474 1/20 0.30

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
SCHEMBL4799653 0.99 PARG (0.35) PARGALOX5APFEN1PDE4APDE4B
SCHEMBL4731973 0.86 HPGD (0.39) ALOX5APFEN1TDP1SFRP1
SCHEMBL4785987 0.86 PARG (0.38) PARGALOX5APFEN1PDE4APDE4B
SCHEMBL4731773 0.84 PARG (0.37) PARGALOX5APFEN1PDE4APDE4B
SCHEMBL4734109 0.82 MEN1 (0.43) TDP1TSHRHTTSFRP1
SCHEMBL4798309 0.81 MEN1 (0.44)
SCHEMBL4731748 0.80 POLB (0.45) TSHRHTTSFRP1
SCHEMBL4733147 0.79 POLB (0.44) TSHRHTTSFRP1
SCHEMBL4731932 0.79 KMT2A (0.37) ALOX5APFEN1HTT
SCHEMBL4730155 0.79 CNR2 (0.39) TSHRHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO claimed
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed