SCHEMBL4733822

SCHEMBL4733822

Cc1cc2c(cc1S(=O)(=O)NCCc1ccccc1)S(=O)(=O)c1ccccc1CC2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 1/20 0.50
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.44
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
BRD3 Q15059 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NSD2 O96028 1/20 0.40

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
SCHEMBL4732136 0.92 MEN1 (0.47) SFRP1ALDH1A1HTTNPSR1L3MBTL1
SCHEMBL4729813 0.91 SFRP1 (0.50) SFRP1ALDH1A1HTTNPSR1L3MBTL1
SCHEMBL4733942 0.89 POLB (0.48) SFRP1ALDH1A1HTTNPSR1L3MBTL1
SCHEMBL4733929 0.84 PARG (0.39) SFRP1HTTTDP1POLBMEN1
SCHEMBL4734599 0.81 POLB (0.48) SFRP1ALDH1A1HTTNPSR1POLB
SCHEMBL4729711 0.80 ALDH1A1 (0.52) ALDH1A1L3MBTL1SMN1; SMN2PKMMEN1
SCHEMBL4733373 0.80 BRD4 (0.40) ALDH1A1L3MBTL1TDP1BRD4PKM
SCHEMBL4731794 0.78 CYP3A4 (0.49) ALDH1A1L3MBTL1TDP1POLBPKM
SCHEMBL4733897 0.77 CNR2 (0.40) HTTPKMNSD2
SCHEMBL4732619 0.77 TAAR1 (0.43) SFRP1ALDH1A1HTTNPSR1L3MBTL1

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