SCHEMBL19265594

SCHEMBL19265594

NN=NC1=Nc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cc2C=C(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 3/20 0.46
▸ HPGD P15428 5/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.38
▸ CSF1R P07333 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ RIPK1 Q13546 2/20 0.35
▸ MGLL Q99685 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
SCHEMBL19265485 0.86 TLR8 (0.49) TLR8HPGDMAPK1TLR7ALDH1A1
SCHEMBL18771724 0.86 TLR8 (0.56) TLR8HPGDMAPK1TLR7CSF1R
SCHEMBL10325171 0.86 TLR8 (0.60) TLR8HPGDMAPK1TLR7CSF1R
SCHEMBL19416362 0.84 TLR8 (0.57) TLR8HPGDMAPK1TLR7CSF1R
SCHEMBL19416487 0.82 TLR8 (0.52) TLR8HPGDMAPK1TLR7CSF1R
SCHEMBL18297269 0.80 TLR8 (0.49) TLR8HPGDMAPK1TLR7TSHR
SCHEMBL27950484 0.78 TLR8 (0.50) TLR8HPGDMAPK1TLR7TSHR
SCHEMBL18772009 0.78 TLR8 (0.78) TLR8TLR7
SCHEMBL1094511 0.77 TLR8 (0.71) TLR8HPGDMAPK1TLR7TSHR
SCHEMBL18772198 0.77 TLR8 (0.62) 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
EP-3208263-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 — — EP disclosed
EP-3207930-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VentiRx Pharmaceuticals, Inc. (US) 2017-08-23 — — EP disclosed
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