SCHEMBL4734759

SCHEMBL4734759

CCC1(CC)c2ccccc2S(=O)(=O)c2cc(S(=O)(=O)NCCc3ccncc3)c(C)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 8/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SFRP1 Q8N474 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.39
NR2F2 P24468 1/20 0.39
NOD2 Q9HC29 1/20 0.39
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38

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
SCHEMBL4734712 0.90 POLB (0.46) HTTALDH1A1L3MBTL1SFRP1SMN1; SMN2
SCHEMBL4733900 0.86 ALDH1A1 (0.41) MEN1KMT2AMAPK1TDP1ALDH1A1
SCHEMBL4731445 0.86 MEN1 (0.46) MEN1KMT2A
SCHEMBL4734109 0.85 MEN1 (0.43) MEN1KMT2AHTTPKMMAPK1
SCHEMBL4731773 0.82 PARG (0.37) MEN1KMT2AHTTTDP1LMNA
SCHEMBL4731926 0.79 POLB (0.47) HTTTDP1ALDH1A1L3MBTL1SFRP1
SCHEMBL4732136 0.78 MEN1 (0.47) MEN1KMT2AHTTPKMMAPK1
SCHEMBL4732674 0.76 ALOX5AP (0.34) HTTL3MBTL1POLB
SCHEMBL4730924 0.76 ALDH1A1 (0.32) MAPK1TDP1ALDH1A1
SCHEMBL4731748 0.76 POLB (0.45) HTTALDH1A1L3MBTL1SFRP1SMN1; SMN2

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