SCHEMBL4593244

SCHEMBL4593244

NOCc1nc2c(N)nc3ccccc3c2n1CCOC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 13/20 0.57
TLR7 Q9NYK1 17/20 0.50
NUDT1 P36639 1/20 0.50

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
SCHEMBL4593400 0.89 TLR8 (0.53) TLR8TLR7
SCHEMBL4080325 0.86 TLR8 (0.54) TLR8TLR7NUDT1
SCHEMBL3867005 0.83 TLR8 (0.52) TLR8TLR7NUDT1
SCHEMBL12003054 0.83 TLR8 (0.68) TLR8TLR7NUDT1
SCHEMBL3864546 0.82 TLR7 (0.54) TLR8TLR7NUDT1
SCHEMBL12756930 0.80 TLR7 (0.57) TLR8TLR7NUDT1
SCHEMBL1960130 0.80 TLR7 (0.70) TLR8TLR7
SCHEMBL1490824 0.79 TLR7 (0.53) TLR8TLR7NUDT1
SCHEMBL29034534 0.79 TLR7 (0.71) TLR8TLR7
SCHEMBL6722353 0.78 TLR8 (0.66) 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-1685129-A4 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-22 EP disclosed
EP-1685129-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-08-02 EP disclosed
WO-2005048933-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 WO disclosed