SCHEMBL5339774

SCHEMBL5339774

CS(=O)(=O)NCCCCn1c(CO)nc2c([AsH2])nc3ccccc3c21

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.65
TDP1 Q9NUW8 2/20 0.43
TLR8 Q9NR97 1/20 0.40
PIM3 Q86V86 2/20 0.36
PIM1 P11309 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL2744306 0.88 TLR7 (0.83) TLR7TLR8
SCHEMBL12409397 0.81 TLR7 (0.81) TLR7TDP1TLR8PIM3PIM1
SCHEMBL2743937 0.80 TLR7 (0.80) TLR7TLR8
Cpg-52852 SCHEMBL29371102 0.79 TLR7 (1.00) TLR7TLR8
Cpg-52852 SCHEMBL483385 0.79 TLR7 (1.00) TLR7TLR8
SCHEMBL2114514 0.79 TLR7 (0.68) TLR7TLR8
SCHEMBL483689 0.77 TLR7 (0.85) TLR7TLR8
SCHEMBL29852269 0.77 TLR7 (0.85) TLR7TLR8
SCHEMBL3884418 0.77 TLR7 (0.72) TLR7TDP1TLR8
SCHEMBL728467 0.77 TLR7 (0.84) TLR7TLR8

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
EP-1851224-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2007-11-07 EP disclosed
WO-2006098852-A2 HYDROXYALKYL SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-09-21 WO disclosed