SCHEMBL4733939

SCHEMBL4733939

CCC1(CC)c2ccccc2S(=O)(=O)c2cc(S(=O)(=O)NC3CCNCC3)c(C)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.41
BRD2 P25440 4/20 0.41
BRD3 Q15059 4/20 0.41
WNT3 P56703 1/20 0.37
SFRP1 Q8N474 1/20 0.37
HTT P42858 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CCR8 P51685 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL4732359 0.89 BRD4 (0.36) BRD4BRD2BRD3HTTTSHR
SCHEMBL4731366 0.89 HTT (0.36) BRD4BRD2BRD3HTTTSHR
SCHEMBL4731370 0.89 HTT (0.36) BRD4BRD2BRD3HTTTSHR
SCHEMBL4737035 0.87 BRD4 (0.43) BRD4BRD2BRD3WNT3SFRP1
SCHEMBL4735483 0.85 BRD4 (0.41) BRD4BRD2BRD3WNT3SFRP1
SCHEMBL4733195 0.84 CCR8 (0.41) CCR8MEN1KMT2A
SCHEMBL4734862 0.84 MEN1 (0.41) SFRP1MEN1KMT2A
SCHEMBL4730139 0.83 SFRP1 (0.45) WNT3SFRP1CCR8MEN1KMT2A
SCHEMBL4730491 0.78 SFRP1 (0.50) SFRP1MAPTMEN1KMT2A
SCHEMBL4733963 0.77 CNR2 (0.38) HTTTSHRLMNAGAAMEN1

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