SCHEMBL4732186

SCHEMBL4732186

Cc1cc2c(cc1S(=O)(=O)NC1CCOCC1)S(=O)(=O)c1ccccc1C21CCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
TP53 P04637 2/20 0.35
BRD4 O60885 8/20 0.35
BRD2 P25440 3/20 0.35
BRD3 Q15059 3/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4732586 0.99 HTT (0.38) HTTTP53BRD4BRD2BRD3
SCHEMBL4735483 0.89 BRD4 (0.41) HTTTP53BRD4BRD2BRD3
SCHEMBL4919374 0.89 HTT (0.36) HTTTP53BRD4BRD2BRD3
SCHEMBL4801590 0.88 HTT (0.38) HTTTP53BRD4BRD2BRD3
SCHEMBL4736205 0.87 HTT (0.35) HTTTP53BRD4BRD2BRD3
SCHEMBL4730155 0.86 CNR2 (0.39) HTTLMNAGAATSHR
SCHEMBL4732243 0.85 CNR2 (0.39) HTTLMNAGAATSHRALDH1A1
SCHEMBL4732359 0.85 BRD4 (0.36) HTTTP53BRD4BRD2BRD3
SCHEMBL4730903 0.82 SFRP1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL4795053 0.82 ALDH1A1 (0.38) HTTBRD4BRD2BRD3LMNA

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