SCHEMBL18771727

SCHEMBL18771727

CCOC(=O)C1=Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2NC(N=NN)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.42
▸ HPGD P15428 6/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SETD7 Q8WTS6 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL19265449 0.92 TLR8 (0.41) TLR8HPGDL3MBTL1KDM4ETLR7
SCHEMBL18771971 0.89 HPGD (0.40) TLR8HPGDALDH1A1NPC1RAB9A
SCHEMBL18771941 0.88 HPGD (0.41) TLR8HPGDALDH1A1SMN1; SMN2HRH3
SCHEMBL18771820 0.88 TLR8 (0.57) TLR8TLR7
SCHEMBL18772018 0.87 TLR8 (0.58) TLR8TLR7
SCHEMBL18771953 0.87 TLR8 (0.50) TLR8HPGDTLR7ALDH1A1SMN1; SMN2
SCHEMBL19265459 0.86 HPGD (0.40) TLR8HPGDL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL18771933 0.85 TLR8 (0.34) TLR8HPGDKDM4ETLR7ALDH1A1
SCHEMBL18771940 0.85 TLR8 (0.48) TLR8HPGDTLR7HRH3MAPK1
SCHEMBL18772002 0.84 HPGD (0.37) TLR8HPGDTLR7ALDH1A1NPC1

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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