SCHEMBL19265485

SCHEMBL19265485

CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2N=C(N=NN)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 6/20 0.49
▸ TLR7 Q9NYK1 2/20 0.42
▸ HPGD P15428 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SETD7 Q8WTS6 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL19265578 0.87 TLR8 (0.47) TLR8TLR7HPGDKDM4EL3MBTL1
SCHEMBL10325097 0.87 TLR8 (0.63) TLR8TLR7HPGDKDM4EL3MBTL1
SCHEMBL19265594 0.86 TLR8 (0.46) TLR8TLR7HPGDRAB9ANPC1
SCHEMBL10343179 0.86 TLR8 (0.51) TLR8TLR7HPGDKDM4EL3MBTL1
SCHEMBL10343412 0.85 TLR8 (0.49) TLR8TLR7HPGDKDM4EL3MBTL1
SCHEMBL10345106 0.83 TLR8 (0.48) TLR8TLR7HPGDKDM4EL3MBTL1
SCHEMBL10343297 0.83 TLR8 (0.51) TLR8TLR7HPGDKDM4EL3MBTL1
SCHEMBL10343180 0.83 TLR8 (0.49) TLR8TLR7HPGDKDM4EL3MBTL1
SCHEMBL10345362 0.82 TLR8 (0.47) TLR8TLR7HPGDKDM4EL3MBTL1
SCHEMBL19265669 0.82 TLR8 (0.49) TLR8TLR7HPGDRAB9AALDH1A1

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
EP-3207930-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 — — EP disclosed
EP-3208263-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 — — EP disclosed
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