SCHEMBL19265535

SCHEMBL19265535

CCOC(=O)C1=Cc2cc(-c3cccc(OC)c3Cl)ccc2NC(N)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCZ Q05513 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ DHFR P00374 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PTPN1 P18031 1/20 0.33

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
SCHEMBL19265651 0.86 GRM6 (0.41) MAPTMEN1KMT2AADORA3ALDH1A1
SCHEMBL19265635 0.84 ADORA3 (0.37) MAPTADORA3ALDH1A1TRPV1TLR8
SCHEMBL19265647 0.79 PRKCZ (0.37) PRKCZDHFRMEN1KMT2AADORA3
SCHEMBL19265548 0.77 LMNA (0.36) MAPTTP53GAAMEN1KMT2A
SCHEMBL10325968 0.76 TLR8 (0.52) PRKCZTLR8TLR7
SCHEMBL19265538 0.75 MEN1 (0.40) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL19265659 0.73 TLR8 (0.44) MEN1KMT2AALDH1A1TLR8TLR7
SCHEMBL10325132 0.72 TLR8 (0.37) PRKCZMAPTTP53GAATLR8
SCHEMBL19265650 0.70 KDM4E (0.39) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL19265541 0.68 PPARA (0.33) MAPTGAAADORA3ALDH1A1TRPV1

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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