SCHEMBL4733368

SCHEMBL4733368

Cc1cc2c(cc1S(=O)(=O)NCCC1CCOCC1)S(=O)(=O)c1cc(F)ccc1O2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
OPRL1 P41146 6/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
BRD4 O60885 1/20 0.37
MKNK2 Q9HBH9 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
CNR2 P34972 2/20 0.34
NAMPT P43490 1/20 0.34

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 0.91 CNR2 (0.41) MKNK2MEN1KMT2AMAPTCNR2
SCHEMBL4730455 0.84 USP30 (0.39) OPRL1PIK3CDPIK3CBPIK3CGBRD4
SCHEMBL4731712 0.83 ALDH1A1 (0.51) MEN1KMT2ACNR2
SCHEMBL4730716 0.79 SLC2A1 (0.45)
SCHEMBL4781177 0.79 KMT2A (0.49) BRD4KMT2AMAPT
SCHEMBL4733867 0.77 MEN1 (0.46) MEN1KMT2A
SCHEMBL4734747 0.77 KMT2A (0.48) MEN1KMT2AMAPT
SCHEMBL4732610 0.77 NR2F2 (0.51) MAPT
SCHEMBL4732339 0.76 NAMPT (0.38) CHRM2CHRM1CHRM3OPRL1PIK3CD
SCHEMBL4733373 0.76 BRD4 (0.40) CHRM2CHRM1CHRM3PIK3CDPIK3CB

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