SCHEMBL3666095

SCHEMBL3666095

CCOCc1nc2c[n+]([O-])c3ccccc3c2n1CCCOC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.41
KDM4E B2RXH2 3/20 0.38
MAPT P10636 1/20 0.38
TLR7 Q9NYK1 10/20 0.38
NUDT1 P36639 1/20 0.38
ALDH1A1 P00352 1/20 0.37
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL1960054 0.88 TLR7 (0.42) TLR8KDM4ETLR7ALDH1A1
SCHEMBL6098569 0.87 TLR8 (0.42) TLR8KDM4EMAPTTLR7NUDT1
SCHEMBL19475891 0.85 CTNNB1 (0.41) TLR8KDM4ETLR7NUDT1ALDH1A1
SCHEMBL15205345 0.85 TLR7 (0.40) TLR8KDM4EMAPTTLR7NUDT1
SCHEMBL15205343 0.85 TLR7 (0.40) TLR8KDM4EMAPTTLR7NUDT1
SCHEMBL5616314 0.84 TLR8 (0.38) TLR8KDM4EMAPTTLR7NUDT1
SCHEMBL5346497 0.81 TLR7 (0.48) TLR8TLR7
SCHEMBL2892852 0.81 TLR7 (0.40) TLR8TLR7NUDT1
SCHEMBL8126438 0.81 TSHR (0.42) TLR8KDM4EMAPTALDH1A1USP2
SCHEMBL5618202 0.80 TLR8 (0.39) TLR8KDM4EMAPTTLR7NUDT1

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-2155743-B1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES ASTRAZENECA AB (SE) 2012-08-29 EP disclosed
EP-2155743-A1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES AstraZeneca AB (SE) 2010-02-24 EP disclosed
WO-2008135791-A1 IMIDAZOQUINOLINES WITH IMMUNO-MODULATING PROPERTIES ASTRAZENECA AB (SE) 2008-11-13 WO disclosed