SCHEMBL4730455

SCHEMBL4730455

Cc1cc2c(cc1S(=O)(=O)NC1CCOCC1)S(=O)(=O)c1cc(F)ccc1O2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
HTT P42858 2/20 0.35
BRD4 O60885 5/20 0.35
BRD2 P25440 4/20 0.35
BRD3 Q15059 4/20 0.35
TP53 P04637 2/20 0.35
PKM P14618 1/20 0.34
PKLR P30613 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
OPRL1 P41146 1/20 0.34
MKNK2 Q9HBH9 3/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
MTOR P42345 2/20 0.33
PIK3CG P48736 2/20 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
SCHEMBL4732276 0.85 CNR2 (0.41) TP53MAPTMKNK2
SCHEMBL4733516 0.85 USP30 (0.37) USP30BRD4BRD2BRD3TP53
SCHEMBL4733368 0.84 CHRM2 (0.41) BRD4MAPTOPRL1MKNK2PIK3CD
SCHEMBL4734091 0.77 MAOA (0.33)
SCHEMBL4781177 0.74 KMT2A (0.49) BRD4BRD2BRD3TP53LMNA
SCHEMBL4732698 0.73 GSTO1 (0.38) USP30LMNAOPRL1
SCHEMBL4730716 0.73 SLC2A1 (0.45) TP53PKMTSHR
SCHEMBL4731657 0.73 HTR1A (0.38) USP30
SCHEMBL4733893 0.73 KDM4E (0.38) HTTBRD4BRD2BRD3TP53
SCHEMBL6103336 0.73 HTT (0.43) USP30HTTBRD4BRD2BRD3

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