SCHEMBL4733838

SCHEMBL4733838

Cc1cc2c(cc1S(=O)(=O)NCC1CCOCC1)S(=O)(=O)c1ccccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.43
PARG Q86W56 1/20 0.42
CNR2 P34972 4/20 0.40
BRCA1 P38398 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHEK1 O14757 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL4732673 0.82 CNR2 (0.40) CNR2PKMMAOA
SCHEMBL4733897 0.82 CNR2 (0.40) CNR2PKM
SCHEMBL4732817 0.80 CNR2 (0.39) CNR2PKMMEN1KMT2AGAA
SCHEMBL4733963 0.79 CNR2 (0.38) CNR2PKMMEN1KMT2AGAA
SCHEMBL4730155 0.78 CNR2 (0.39) CNR2PKMGAANPSR1
SCHEMBL4732243 0.78 CNR2 (0.39) CNR2PKMALDH1A1GAANPSR1
SCHEMBL4732276 0.74 CNR2 (0.41) CNR2MEN1KMT2A
SCHEMBL4618055 0.73 GBA1 (0.50) PARGCNR2PKMALDH1A1MEN1
SCHEMBL4733373 0.73 BRD4 (0.40) CNR2PKMALDH1A1MEN1KMT2A
SCHEMBL4619103 0.70 SFRP1 (0.58) PARGCNR2PKMALDH1A1MEN1

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