SCHEMBL16613400

SCHEMBL16613400

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc(-c6cccc7ccccc67)c5)c5occc5n4)ccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ATM Q13315 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RORC P51449 1/20 0.32
PTGER4 P35408 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TLR4 O00206 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 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
SCHEMBL16613472 0.94 KDM4E (0.35) KDM4EATML3MBTL1RORCPTGER4
SCHEMBL16613500 0.92 KDM4E (0.38) KDM4EATML3MBTL1RORCPTGER4
SCHEMBL16613612 0.90 PIK3CA (0.35) KDM4EATML3MBTL1RORCALDH1A1
SCHEMBL16613399 0.89 KDM4E (0.40) KDM4EATML3MBTL1PTGER4ALDH1A1
SCHEMBL16613401 0.88 KDM4E (0.38) KDM4EATML3MBTL1PTGER4ALDH1A1
SCHEMBL16613471 0.88 KDM4E (0.39) KDM4EATML3MBTL1PTGER4ALDH1A1
SCHEMBL16613308 0.88 KDM4E (0.37) KDM4EATML3MBTL1RORCPTGER4
SCHEMBL16613537 0.87 KDM4E (0.33) KDM4EATML3MBTL1PTGER4TLR4
SCHEMBL16613473 0.87 KDM4E (0.36) KDM4EATML3MBTL1RORCPTGER4
SCHEMBL16613376 0.85 PIK3CD (0.32) KDM4EATML3MBTL1RORCALDH1A1

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