SCHEMBL27657384

SCHEMBL27657384

CCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CCCCOC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.39
NMT1 P30419 4/20 0.39
NMT2 O60551 1/20 0.39
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR8 Q9NR97 2/20 0.38

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
SCHEMBL27640490 0.93 NMT1 (0.40) NMT1NMT2
SCHEMBL1486736 0.87 BRD4 (0.40) TLR7NMT1NMT2MEN1HSP90AA1
Hydrochloric Acid SCHEMBL1486765 0.87 TLR8 (0.43) TLR7MEN1KMT2ATLR8
SCHEMBL27657269 0.86 TLR8 (0.36) TLR7TLR8
SCHEMBL6248929 0.85 TLR7 (0.42) TLR7TLR8
SCHEMBL28757935 0.84 F10 (0.38) TLR7NMT1NMT2MEN1HSP90AA1
SCHEMBL1486668 0.83 TLR7 (0.40) TLR7NMT1NMT2MEN1HSP90AA1
SCHEMBL4757142 0.83 TLR7 (0.49) TLR7NMT1NMT2MEN1HSP90AA1
SCHEMBL4248404 0.83 TLR7 (0.47) TLR7TLR8
SCHEMBL3865204 0.80 NMT1 (0.45) NMT1NMT2MEN1HSP90AA1KMT2A

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
CN-1897948-A Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2007-01-17 CN disclosed