SCHEMBL17039499

SCHEMBL17039499

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6c5sc5ccccc56)c5ccccn45)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.37
▸ PRKDC P78527 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTGER4 P35408 1/20 0.31
▸ HIF1A Q16665 1/20 0.30
▸ EPAS1 Q99814 1/20 0.30
▸ ADK P55263 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
SCHEMBL17039381 0.88 PRKDC (0.39) ALOX5PRKDCHIF1AEPAS1ADK
SCHEMBL17039385 0.85 KDM4E (0.39) KDM4EATML3MBTL1PTGER4
SCHEMBL17039529 0.83 KDM4E (0.38) KDM4EATML3MBTL1PTGER4
SCHEMBL17661519 0.82 ALOX5 (0.53) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL896199 0.81 ALOX5 (0.49) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL18804958 0.81 ALOX5 (0.52) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL12088546 0.81 ALOX5 (0.49) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL10165753 0.81 ALOX5 (0.49) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL17039398 0.81 KDM4E (0.44) KDM4EATML3MBTL1PTGER4HIF1A
SCHEMBL31606614 0.81 ALOX5 (0.54) ALOX5PRKDCKDM4EATML3MBTL1

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-2015126161-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
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