SCHEMBL18772200

SCHEMBL18772200

CCOC(=O)C1=Cc2ccc(-c3ccccn3)cc2N=C(N=NN)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 13/20 0.50
▸ TLR7 Q9NYK1 4/20 0.50
▸ LMNA P02545 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL12619274 0.86 TLR8 (0.65) TLR8TLR7
SCHEMBL18772121 0.86 TLR8 (0.52) TLR8TLR7HSD17B10ALDH1A1
SCHEMBL18772107 0.81 TLR8 (0.50) TLR8TLR7
SCHEMBL18772042 0.81 TLR8 (0.49) TLR8TLR7ALDH1A1
SCHEMBL18771925 0.80 TLR8 (0.45) TLR8TLR7
SCHEMBL18772144 0.79 TLR8 (0.45) TLR8TLR7
SCHEMBL18772040 0.79 TLR8 (0.45) TLR8TLR7
SCHEMBL19265669 0.77 TLR8 (0.49) TLR8TLR7LMNAHSD17B10RAB9A
SCHEMBL18772117 0.74 KDM4E (0.39) TLR8TLR7LMNAKDM4ECASP1
SCHEMBL18772025 0.73 TLR8 (0.51) 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-3159337-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-04-26 — — EP disclosed
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