SCHEMBL21926038

SCHEMBL21926038

c1ccc(C2=NC(c3ccc4c(c3)oc3c(-c5cccc6c5oc5ccccc56)cccc34)NC(c3cccc4sc5ccccc5c34)N2)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRDT Q58F21 1/20 0.33
▸ ALOX5 P09917 2/20 0.32
▸ PRKDC P78527 1/20 0.30

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
SCHEMBL21926234 0.97 BRDT (0.33) BRDTALOX5
SCHEMBL21926353 0.95 BRDT (0.33) BRDTALOX5
SCHEMBL22924361 0.94 ALOX5 (0.34) ALOX5PRKDC
SCHEMBL21926163 0.94 PRKDC (0.34) BRDTPRKDC
SCHEMBL21928837 0.92 ALOX5 (0.35) ALOX5PRKDC
SCHEMBL21926281 0.91 ALOX5 (0.34) ALOX5
SCHEMBL24384118 0.90 ALOX5 (0.35) ALOX5PRKDC
SCHEMBL22924413 0.88 ALOX5 (0.34) ALOX5PRKDC
SCHEMBL21926135 0.87 ALOX5 (0.31) BRDTALOX5
SCHEMBL21926324 0.86 BRDT (0.33) BRDTALOX5

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
WO-2020085740-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME 주식회사 엘지화학 2020-04-30 — — WO disclosed
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