SCHEMBL19265659

SCHEMBL19265659

CCOC(=O)C1=Cc2cc(-c3ccc(C(=O)N4CCCC4)cc3)ccc2NC(N)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.44
▸ HPGD P15428 6/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ SETD7 Q8WTS6 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36

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
SCHEMBL19265530 0.88 TLR8 (0.44) TLR8HPGDL3MBTL1KDM4EMAPK1
SCHEMBL19265449 0.87 TLR8 (0.41) TLR8HPGDL3MBTL1KDM4EMAPK1
SCHEMBL19265633 0.87 TLR8 (0.44) TLR8HPGDMAPK1HRH3ALDH1A1
SCHEMBL19265432 0.85 TLR8 (0.40) TLR8HPGDL3MBTL1KDM4EMAPK1
SCHEMBL19265529 0.84 TLR8 (0.43) TLR8HPGDL3MBTL1KDM4EMAPK1
SCHEMBL19265634 0.83 HPGD (0.41) TLR8HPGDMAPK1ALDH1A1ABL1
SCHEMBL10345311 0.82 TLR8 (0.45) TLR8HPGDL3MBTL1KDM4EMAPK1
SCHEMBL10344972 0.81 TLR8 (0.45) TLR8HPGDL3MBTL1KDM4EMAPK1
SCHEMBL19265537 0.79 TLR8 (0.41) TLR8HPGDL3MBTL1KDM4EMAPK1
SCHEMBL19265627 0.79 HPGD (0.36) TLR8HPGDL3MBTL1KDM4EMAPK1

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