SCHEMBL4731773

SCHEMBL4731773

CCC1(CC)c2ccccc2S(=O)(=O)c2cc(S(=O)(=O)NCCC#N)c(C)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SFRP1 Q8N474 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4785987 0.88 PARG (0.38) PARGPDE4APDE4BPDE4CPDE4D
SCHEMBL4733900 0.87 ALDH1A1 (0.41) FEN1TDP1MEN1KMT2ALMNA
SCHEMBL4734831 0.84 PARG (0.36) PARGPDE4APDE4BPDE4CPDE4D
SCHEMBL4799653 0.83 PARG (0.35) PARGPDE4APDE4BPDE4CPDE4D
SCHEMBL4734759 0.82 MEN1 (0.45) TDP1MEN1KMT2ALMNAHTT
SCHEMBL4734712 0.79 POLB (0.46) HTTSFRP1SMN1; SMN2
SCHEMBL4732674 0.78 ALOX5AP (0.34) ALOX5APFEN1HTT
SCHEMBL4730924 0.78 ALDH1A1 (0.32) TDP1
SCHEMBL4733963 0.77 CNR2 (0.38) MEN1KMT2ALMNAHTT
SCHEMBL4733929 0.76 PARG (0.39) PARGPDE4APDE4BPDE4CPDE4D

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