SCHEMBL19416396

SCHEMBL19416396

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 19/20 0.49
TLR7 Q9NYK1 4/20 0.49
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1589533 0.84 TLR8 (0.72) TLR8TLR7
SCHEMBL19416521 0.83 TLR8 (0.49) TLR8TLR7LMNA
SCHEMBL19416462 0.82 TLR8 (0.67) TLR8TLR7
SCHEMBL19416519 0.81 ABCC4 (0.42) TLR8TLR7ABCC4LMNAGAA
SCHEMBL1588952 0.80 TLR8 (0.64) TLR8TLR7
SCHEMBL1589797 0.80 TLR8 (0.66) TLR8TLR7
SCHEMBL19416551 0.80 TLR8 (0.47) TLR8TLR7
Hydrochloric Acid SCHEMBL1588730 0.80 TLR8 (0.62) TLR8TLR7
SCHEMBL12701423 0.78 TLR8 (0.72) TLR8TLR7
SCHEMBL10044375 0.76 TLR8 (0.47) 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
EP-3225623-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-10-04 EP disclosed