SCHEMBL19265523

SCHEMBL19265523

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ TARBP2 Q15633 1/20 0.33
▸ ACR P10323 1/20 0.33
▸ MAPT P10636 5/20 0.32
▸ ALOX12 P18054 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ CA9 Q16790 4/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 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
SCHEMBL19265705 0.93 FDFT1 (0.38) TLR8TLR7MAPTMEN1KMT2A
SCHEMBL19265526 0.93 TLR8 (0.40) TLR8TLR7TARBP2MAPTMEN1
SCHEMBL19265638 0.93 KDM4E (0.36) TLR8TLR7GAACA9CA1
SCHEMBL19265644 0.91 MMP2 (0.41) TLR8TLR7ALDH1A1HPGDCASP1
SCHEMBL19265546 0.90 TLR8 (0.33) TLR8TLR7MAPTMEN1KMT2A
SCHEMBL19265650 0.87 KDM4E (0.39) TLR8TLR7MAPTMEN1KMT2A
SCHEMBL19265449 0.86 TLR8 (0.41) TLR8TLR7MEN1KMT2AALDH1A1
SCHEMBL19265647 0.85 PRKCZ (0.37) MEN1KMT2AALDH1A1
SCHEMBL19265550 0.84 PKM (0.39) MAPTKMT2APKMALDH1A1LMNA
SCHEMBL19265503 0.84 LRRK2 (0.36) 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 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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