SCHEMBL8179986

SCHEMBL8179986

CCOC(=O)C1=Cc2cc(OC)c(OC)cc2N=C(N)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 15/20 0.54
TLR7 Q9NYK1 6/20 0.54
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DPP4 P27487 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B2 P37059 1/20 0.37

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
SCHEMBL8189901 0.93 TLR8 (0.53) TLR8TLR7KDM4EALDH1A1GAA
SCHEMBL8190040 0.92 TLR8 (0.52) TLR8TLR7KDM4EALDH1A1GAA
SCHEMBL8190192 0.90 TLR8 (0.45) TLR8TLR7KDM4E
SCHEMBL8179545 0.83 TLR8 (0.60) TLR8TLR7KDM4EALDH1A1HPGD
SCHEMBL8188956 0.83 TLR8 (0.53) TLR8TLR7KDM4EALDH1A1HPGD
SCHEMBL10325963 0.83 TLR8 (0.55) TLR8TLR7
SCHEMBL10343434 0.82 TLR8 (0.51) TLR8TLR7NPSR1
SCHEMBL7505631 0.81 TLR8 (0.63) TLR8TLR7ALDH1A1GAA
SCHEMBL7508446 0.80 TLR8 (0.62) TLR8TLR7
SCHEMBL7509353 0.80 TLR8 (0.54) TLR8TLR7KDM4EALDH1A1HPGD

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-6043238-A 2-Aminobenzazapine derivatives PFIZER INC. (US) 2000-03-28 US disclosed