SCHEMBL4785131

SCHEMBL4785131

Cc1c(C)c2c(c(C)c1S(=O)(=O)NCC1CCOCC1)Cc1ccccc1S2(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NAMPT P43490 2/20 0.35
GBA1 P04062 1/20 0.35
CNR2 P34972 5/20 0.34
PKM P14618 2/20 0.34
NPC1 O15118 1/20 0.34
CCR8 P51685 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CNR1 P21554 1/20 0.32
NSD2 O96028 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL4781080 0.86 MEN1 (0.35) MEN1KMT2ACCR8
SCHEMBL4732673 0.77 CNR2 (0.40) NAMPTGBA1CNR2PKMCCR8
SCHEMBL4784263 0.74 MEN1 (0.47) MEN1KMT2APKMALDH1A1
SCHEMBL4733897 0.73 CNR2 (0.40) NAMPTGBA1CNR2PKMCCR8
SCHEMBL4733838 0.67 PSMD14 (0.43) MEN1KMT2ACNR2PKMALDH1A1
SCHEMBL4732817 0.66 CNR2 (0.39) MEN1KMT2AGBA1CNR2PKM
SCHEMBL4733963 0.65 CNR2 (0.38) MEN1KMT2AGBA1CNR2PKM
SCHEMBL4730155 0.64 CNR2 (0.39) GBA1CNR2PKMCNR1
SCHEMBL4733373 0.64 BRD4 (0.40) MEN1KMT2ANAMPTCNR2PKM
SCHEMBL4732243 0.64 CNR2 (0.39) GBA1CNR2PKMALDH1A1CNR1

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