SCHEMBL21926431

SCHEMBL21926431

c1ccc(C2NC(c3ccc4oc5c(-c6cccc7c6oc6ccccc67)cccc5c4c3)=NC(c3cccc4c3oc3ccccc34)N2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.38
▸ PRKDC P78527 4/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ GGPS1 O95749 1/20 0.31
▸ PTPRF P10586 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 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
SCHEMBL22924278 0.94 ALOX5 (0.36) ALOX5
SCHEMBL24747096 0.91 ALOX5 (0.33) ALOX5
SCHEMBL22924276 0.90 ALOX5 (0.35) ALOX5
SCHEMBL22924421 0.89 ALOX5 (0.37) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL22924465 0.88 ALOX5 (0.33) ALOX5
SCHEMBL26178039 0.87 ALOX5 (0.38) ALOX5PRKDCGGPS1
SCHEMBL26178043 0.87 PLA2G2A (0.36) ALOX5
SCHEMBL24231106 0.86 ALOX5 (0.34) ALOX5PRKDC
SCHEMBL21926875 0.86 ALOX5 (0.40) ALOX5PRKDCGGPS1
SCHEMBL22924300 0.86 ALOX5 (0.37) ALOX5PRKDCGGPS1

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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