SCHEMBL4874946

SCHEMBL4874946

CCOCc1nc2c(N)ncc(C)c2n1CCCCS(=O)(=O)Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.42
TLR7 Q9NYK1 17/20 0.40
NUDT1 P36639 1/20 0.39
AR P10275 1/20 0.36
FBP1 P09467 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
SCHEMBL4882511 0.88 TLR7 (0.48) TLR8TLR7
SCHEMBL4793699 0.86 TLR8 (0.44) TLR8TLR7NUDT1FBP1
SCHEMBL4879922 0.86 TLR8 (0.44) TLR8TLR7NUDT1AR
SCHEMBL4793734 0.86 TLR8 (0.44) TLR8TLR7NUDT1FBP1
SCHEMBL4793789 0.85 TLR8 (0.40) TLR8TLR7NUDT1
SCHEMBL4875240 0.85 TLR7 (0.46) TLR8TLR7
SCHEMBL4792114 0.84 TLR8 (0.40) TLR8TLR7NUDT1
SCHEMBL4790923 0.84 TLR8 (0.45) TLR8TLR7NUDT1FBP1
SCHEMBL6778072 0.83 TLR7 (0.41) TLR8TLR7NUDT1
SCHEMBL6778433 0.82 TLR7 (0.47) TLR8TLR7NUDT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO disclosed