SCHEMBL4881712

SCHEMBL4881712

COC(C)c1nc2c(N)nc(C)c(C)c2n1CCCCCS(=O)(=O)Nc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.34
AR P10275 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5338697 0.86 TLR7 (0.34) TLR7
SCHEMBL4871676 0.86
SCHEMBL4793376 0.85 TLR7 (0.34) TLR7KDM4EMAPT
SCHEMBL4870128 0.84 TLR7 (0.39) TLR7AR
SCHEMBL4793944 0.84 TLR7 (0.30) TLR7
SCHEMBL4794368 0.83 TLR7 (0.31) TLR7
SCHEMBL4883554 0.83 TLR7 (0.34) TLR7
SCHEMBL4794064 0.83 TLR7 (0.34) TLR7KDM4EMAPT
SCHEMBL4881714 0.82 TLR7 (0.40) TLR7
SCHEMBL4876737 0.82 PTGES2 (0.31)

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