SCHEMBL14465833

SCHEMBL14465833

CCOCc1nc2cnc3ccccc3c2n1CC1CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.52
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 4/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TLR8 Q9NR97 5/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
NUDT1 P36639 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
ABCC1 P33527 1/20 0.39
BRD4 O60885 1/20 0.39
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 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
SCHEMBL4763937 0.99 TLR7 (0.52) TLR7ALDH1A1NPSR1KDM4EHSD17B10
SCHEMBL4763092 0.90 TLR7 (0.62) TLR7TLR8NUDT1BRD4
SCHEMBL4762062 0.85 TLR7 (0.49) TLR7ALDH1A1KDM4EHSD17B10TLR8
SCHEMBL4792564 0.83 TLR7 (0.52) TLR7ALDH1A1NPSR1KDM4EHSD17B10
SCHEMBL18179115 0.83 TLR7 (0.49) TLR7ALDH1A1TLR8NUDT1LMNA
SCHEMBL5160131 0.82 TLR7 (0.54) TLR7ALDH1A1NPSR1KDM4EHSD17B10
SCHEMBL4761822 0.82 ALDH1A1 (0.46) TLR7ALDH1A1NPSR1KDM4EHSD17B10
SCHEMBL5454507 0.82 TLR7 (0.47) TLR7TLR8NUDT1LMNABRD4
SCHEMBL4754407 0.80 TLR7 (0.38) TLR7KDM4ETLR8NUDT1L3MBTL1
SCHEMBL6099996 0.80 TLR8 (0.49) TLR7ALDH1A1KDM4ETLR8NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075468-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-05 WO disclosed