SCHEMBL29707906

SCHEMBL29707906

O=C1C=CC(=O)N1c1ccc(Br)c(Br)c1Br

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 16/20 0.55
TLR9 Q9NR96 2/20 0.48
FAAH O00519 5/20 0.43
G6PD P11413 1/20 0.38
BCHE P06276 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL331535 1.00 MGLL (0.55) MGLLTLR9FAAHG6PDBCHE
SCHEMBL10620846 0.77 MGLL (0.48) MGLLTLR9FAAHBCHEHSP90AA1
SCHEMBL28883423 0.74 MGLL (0.60) MGLLTLR9FAAHHSP90AA1PKM
SCHEMBL5075633 0.72 MGLL (0.59) MGLLTLR9FAAHG6PDHSP90AA1
SCHEMBL711003 0.71 MGLL (1.00) MGLLTLR9FAAHHSP90AA1PKM
SCHEMBL29510698 0.71 MGLL (1.00) MGLLTLR9FAAHHSP90AA1PKM
SCHEMBL10587190 0.71 MGLL (0.57) MGLLTLR9FAAHG6PDHSP90AA1
SCHEMBL3769866 0.69 MGLL (0.55) MGLLTLR9FAAHG6PDHSP90AA1
SCHEMBL9838829 0.69 MGLL (0.55) MGLLTLR9FAAHG6PDHSP90AA1
SCHEMBL29510662 0.69 MGLL (0.55) MGLLTLR9FAAHG6PDHSP90AA1

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
CN-118843614-A High-purity 4- (2-bromoethyl) benzenesulfonic acid, high-purity styrenesulfonic acid derived therefrom, polymer thereof, and process for producing these 东曹精细化工株式会社 2024-10-25 CN disclosed
CN-110997631-B High purity amphiphilic arylsulfonic acid amine salt vinyl monomers and (co) polymers thereof 东曹精细化工株式会社 2022-07-15 CN disclosed