SCHEMBL12908804

SCHEMBL12908804

CCCNC(=O)C1=Cc2ccc(-c3ccc(C(=O)I)cc3)cc2N=C(N)C1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 20/20 0.53
TLR7 Q9NYK1 6/20 0.51

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
SCHEMBL1588858 0.87 TLR8 (0.71) TLR8TLR7
SCHEMBL21841734 0.87 TLR8 (0.54) TLR8TLR7
SCHEMBL12619381 0.86 TLR8 (0.59) TLR8TLR7
SCHEMBL12908673 0.86 TLR8 (0.59) TLR8TLR7
SCHEMBL21841694 0.86 TLR8 (0.53) TLR8TLR7
SCHEMBL10044374 0.83 TLR8 (0.53) TLR8TLR7
SCHEMBL25688388 0.82 TLR8 (0.53) TLR8TLR7
SCHEMBL12909140 0.78 TLR8 (0.60) TLR8TLR7
SCHEMBL1095467 0.78 TLR8 (0.46) TLR8TLR7
SCHEMBL25690100 0.78 TLR8 (0.45) TLR8TLR7

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-2011022509-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-02-24 WO disclosed