SCHEMBL4731366

SCHEMBL4731366

CCC1(CC)c2ccccc2S(=O)(=O)c2cc(S(=O)(=O)N[C@H]3CC[C@H](O)CC3)c(C)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 2/20 0.34
PIK3CA P42336 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
BRD4 O60885 2/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL4731370 1.00 HTT (0.36) HTTLMNAGAAMAPTTSHR
SCHEMBL4732359 0.89 BRD4 (0.36) HTTLMNAGAAMAPTTSHR
SCHEMBL4733939 0.89 BRD4 (0.41) HTTLMNAGAAMAPTTSHR
SCHEMBL4733956 0.87 PIK3CD (0.36) HTTLMNAGAAMAPTTSHR
SCHEMBL4733960 0.87 PIK3CD (0.36) HTTLMNAGAAMAPTTSHR
SCHEMBL4733195 0.86 CCR8 (0.41) MEN1KMT2ACCR8
SCHEMBL4734862 0.86 MEN1 (0.41) MEN1KMT2A
SCHEMBL4730139 0.85 SFRP1 (0.45) MEN1KMT2ACCR8
SCHEMBL4919374 0.85 HTT (0.36) HTTLMNAGAAMAPTTSHR
SCHEMBL4801590 0.84 HTT (0.38) HTTLMNAGAAMAPTTSHR

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