SCHEMBL16613631

SCHEMBL16613631

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc6c5sc5ccccc56)c5ccoc5n4)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
PRKDC P78527 3/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3CD O00329 1/20 0.30
PIK3CB P42338 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
SCHEMBL16613392 0.88 ALOX5 (0.35) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL15583017 0.87 ALOX5 (0.38) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL16613580 0.86 KDM4E (0.36) KDM4EATML3MBTL1
SCHEMBL16613492 0.86 KDM4E (0.36) KDM4EATML3MBTL1
SCHEMBL16613579 0.85 KDM4E (0.37) KDM4EATML3MBTL1
SCHEMBL16613723 0.83 ALOX5 (0.35) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL16613491 0.83 KDM4E (0.40) KDM4EATML3MBTL1
SCHEMBL16613493 0.83 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL16613688 0.82 ALOX5 (0.35) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL16613536 0.82 KDM4E (0.38) KDM4EATML3MBTL1

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed