SCHEMBL16613348

SCHEMBL16613348

c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4nc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)c5cocc5n4)c23)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DUSP3 P51452 1/20 0.31

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
SCHEMBL16613324 0.92
SCHEMBL16613276 0.88 ADK (0.31)
SCHEMBL16613572 0.87 KDM4E (0.34) KDM4EATML3MBTL1DUSP3
SCHEMBL16613383 0.87 KDM4E (0.30) KDM4E
SCHEMBL16613354 0.87 KDM4E (0.41) KDM4EATML3MBTL1DUSP3
SCHEMBL16613244 0.86 KDM4E (0.32) KDM4EATML3MBTL1DUSP3
SCHEMBL16613310 0.86 KDM4E (0.35) KDM4EATML3MBTL1DUSP3
SCHEMBL16613767 0.86 KDM4E (0.32) KDM4EATML3MBTL1DUSP3
SCHEMBL15596414 0.84 DUSP3 (0.33) KDM4EATML3MBTL1DUSP3
SCHEMBL16613600 0.83 ALDH1A1 (0.32) KDM4EATML3MBTL1DUSP3

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