SCHEMBL6045136

SCHEMBL6045136

CCOC(=O)c1cc(-c2ccco2)cc(S(=O)(=O)CBr)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 6/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 4/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 5/20 0.43
PKM P14618 1/20 0.43
ADORA2B P29275 2/20 0.43
CYP1A2 P05177 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL17595049 0.85 L3MBTL1 (0.59) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2108554 0.82 L3MBTL1 (0.51) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19194844 0.80 L3MBTL1 (0.54) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3476583 0.78 L3MBTL1 (0.52) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14720808 0.72 L3MBTL1 (0.41) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1179214 0.70 ALDH1A1 (0.60) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3436254 0.69 L3MBTL1 (0.58) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3773742 0.68 ADORA2A (0.55) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3477637 0.68 L3MBTL1 (0.50) L3MBTL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9454146 0.67 KEAP1 (0.61) L3MBTL1ALDH1A1HPGDTP53POLB

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
EP-1658282-A1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2006-05-24 EP disclosed
WO-2005021538-A1 NOVEL CHELATING AGENTS AND CHELATES AND THEIR USE WALLAC OY (FI) 2005-03-10 WO disclosed