SCHEMBL10344976

SCHEMBL10344976

CCOC(=O)c1ccc(-c2ccc3c(c2)C=C(C(=O)O)CC(N)=N3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 9/20 0.52
TLR7 Q9NYK1 5/20 0.52
CYP1A2 P05177 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAOA P21397 1/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ESR1 P03372 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ESR2 Q92731 1/20 0.38
CA14 Q9ULX7 1/20 0.38
EGFR P00533 1/20 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
SCHEMBL10325903 0.93 TLR8 (0.58) TLR8TLR7CYP1A2LMNACYP3A4
SCHEMBL15496646 0.87 TLR8 (0.56) TLR8TLR7
SCHEMBL10345313 0.87 TLR8 (0.67) TLR8TLR7MEN1KMT2ARAB9A
SCHEMBL10325490 0.85 TLR8 (0.59) TLR8TLR7
SCHEMBL10326208 0.85 TLR8 (0.55) TLR8TLR7
SCHEMBL28807423 0.84 TLR8 (0.45) TLR8TLR7CYP1A2CYP3A4RAB9A
SCHEMBL10345314 0.83 TLR8 (0.57) TLR8TLR7
SCHEMBL10326201 0.83 TLR8 (0.56) TLR8TLR7MEN1KMT2ARAB9A
SCHEMBL10325097 0.82 TLR8 (0.63) TLR8TLR7
SCHEMBL15496644 0.80 TLR8 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103562186-A Substituted benzazepines as modulators of TOLL-like receptors VENTIRX PHARMACEUTICALS INC 2014-02-05 CN disclosed
WO-2012097173-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2012-07-19 WO disclosed