SCHEMBL19265546

SCHEMBL19265546

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ ERN1 O75460 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ FDFT1 P37268 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MASP2 O00187 1/20 0.31
▸ GAPDH P04406 1/20 0.31
▸ HSPA1A P0DMV8 1/20 0.31
▸ THRB P10828 1/20 0.31

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
SCHEMBL18771933 0.93 TLR8 (0.34) TLR8TLR7SIRT2SIRT1ERN1
SCHEMBL19265705 0.93 FDFT1 (0.38) TLR8TLR7KDM4EALDH1A1HPGD
SCHEMBL19265523 0.90 TLR8 (0.35) TLR8TLR7KDM4EALDH1A1HPGD
SCHEMBL19265638 0.89 KDM4E (0.36) TLR8TLR7KDM4EALDH1A1POLB
SCHEMBL19265526 0.89 TLR8 (0.40) TLR8TLR7KDM4EALDH1A1HPGD
SCHEMBL19265644 0.87 MMP2 (0.41) TLR8TLR7ALDH1A1HPGDHSD17B10
SCHEMBL19265449 0.86 TLR8 (0.41) TLR8TLR7KDM4EALDH1A1HPGD
SCHEMBL18772124 0.85 TLR8 (0.38) TLR8TLR7ERN1HPGDOTUD7B
SCHEMBL18772002 0.85 HPGD (0.37) TLR8TLR7ALDH1A1HPGDMEN1
SCHEMBL19265650 0.83 KDM4E (0.39) TLR8TLR7KDM4EALDH1A1HPGD

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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