SCHEMBL16613472

SCHEMBL16613472

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)c5occc5n4)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
PTGER4 P35408 1/20 0.33
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
RORC P51449 1/20 0.31
ALK Q9UM73 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 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
SCHEMBL16613400 0.94 KDM4E (0.33) KDM4EATML3MBTL1ENPP3ENPP1
SCHEMBL16613399 0.91 KDM4E (0.40) KDM4EATML3MBTL1PTGER4PIK3CD
SCHEMBL16613471 0.90 KDM4E (0.39) KDM4EATML3MBTL1PTGER4PIK3CD
SCHEMBL16613672 0.90 ENPP1 (0.40) KDM4EATML3MBTL1ENPP3ENPP1
SCHEMBL16613308 0.89 KDM4E (0.37) KDM4EATML3MBTL1PTGER4PIK3CD
SCHEMBL16613473 0.88 KDM4E (0.36) KDM4EATML3MBTL1PTGER4PIK3CD
SCHEMBL16613500 0.88 KDM4E (0.38) KDM4EATML3MBTL1PTGER4PIK3CD
SCHEMBL16404904 0.88 KDM4E (0.40) KDM4EATML3MBTL1PTGER4CA12
SCHEMBL16613493 0.86 KDM4E (0.35) KDM4EATML3MBTL1ENPP3ENPP1
SCHEMBL16613401 0.86 KDM4E (0.38) KDM4EATML3MBTL1PTGER4PIK3CD

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