SCHEMBL843176

SCHEMBL843176

CN(C(=O)O)c1nc2c[n+]([O-])c3ccccc3c2n1CC(C)(C)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.46
TLR8 Q9NR97 2/20 0.35
NUDT1 P36639 1/20 0.34
FABP4 P15090 3/20 0.33
FABP5 Q01469 3/20 0.33
FABP3 P05413 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
PKM P14618 1/20 0.31
PIK3CA P42336 1/20 0.31
TOP2A P11388 1/20 0.31

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
SCHEMBL4060033 0.81 TLR7 (0.48) TLR7TLR8NUDT1KDM4E
SCHEMBL4060026 0.81 TLR7 (0.48) TLR7TLR8NUDT1KDM4E
SCHEMBL842450 0.78 TLR7 (0.49) TLR7TLR8NUDT1KDM4EGLA
SCHEMBL5452417 0.76 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL17181525 0.75 TLR7 (0.53) TLR7TLR8NUDT1
SCHEMBL29385735 0.75 TLR7 (0.57) TLR7TLR8NUDT1
SCHEMBL4532094 0.75 TLR7 (0.57) TLR7TLR8NUDT1
SCHEMBL842116 0.73 TLR7 (0.62) TLR7TLR8NUDT1
SCHEMBL22158688 0.72 TLR7 (0.47) TLR7TLR8NUDT1
SCHEMBL2059398 0.71 TLR7 (0.46) TLR7TLR8NUDT1

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
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed