SCHEMBL18429397

SCHEMBL18429397

CCC(=O)c1ccc(Cn2c(=O)[nH]c3c(N)nc(OCCOC)nc32)cc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.75
NUDT1 P36639 1/20 0.75
IL6 P05231 1/20 0.60

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
SCHEMBL12175813 0.90 TLR7 (0.78) TLR7NUDT1IL6
SCHEMBL29997135 0.90 TLR7 (0.82) TLR7NUDT1IL6
SCHEMBL43878 0.90 TLR7 (0.82) TLR7NUDT1IL6
SCHEMBL822996 0.89 TLR7 (0.72) TLR7NUDT1IL6
SCHEMBL19369897 0.89 TLR7 (0.75) TLR7NUDT1IL6
SCHEMBL18429924 0.88 TLR7 (0.74) TLR7NUDT1IL6
SCHEMBL20553091 0.86 TLR7 (0.71) TLR7NUDT1
SCHEMBL4124603 0.86 TLR7 (0.84) TLR7NUDT1IL6
SCHEMBL1641626 0.86 TLR7 (1.00) TLR7NUDT1IL6
SCHEMBL29381054 0.86 TLR7 (1.00) TLR7NUDT1IL6

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-9556167-B2 TLR-agonist-conjugated antibody recruiting molecules (TLR-ARMs) YALE UNIVERSITY (US) 2017-01-31 US disclosed