SCHEMBL16613614

SCHEMBL16613614

c1ccc(-n2c3ccccc3c3cccc(-c4nc(-n5c6ccccc6c6ccccc65)nc5ccoc45)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
DUSP3 P51452 1/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
GSK3B P49841 1/20 0.33
ROCK1 Q13464 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
RORC P51449 1/20 0.32
RECQL P46063 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 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
SCHEMBL16613473 0.92 KDM4E (0.36) KDM4EL3MBTL1ATMDUSP3MAPK1
SCHEMBL16613329 0.91 KDM4E (0.33) KDM4EL3MBTL1ATMMAPK1RORC
SCHEMBL16613767 0.87 KDM4E (0.32) KDM4EL3MBTL1ATMDUSP3
SCHEMBL16613763 0.85 TUBB4A (0.35) KDM4EL3MBTL1ATMDUSP3MAPK1
SCHEMBL16613611 0.84 ALDH1A1 (0.37) KDM4EL3MBTL1ATMMAPK1HTT
SCHEMBL16613764 0.83 TUBB4A (0.34) KDM4EL3MBTL1ATMDUSP3MAPK1
SCHEMBL16613354 0.82 KDM4E (0.41) KDM4EL3MBTL1ATMDUSP3MAPK1
SCHEMBL16613308 0.82 KDM4E (0.37) KDM4EL3MBTL1ATMMAPK1PIK3CD
SCHEMBL16613768 0.81 HPGD (0.43) KDM4EL3MBTL1ATMMAPK1HTT
SCHEMBL16613609 0.80 DUSP3 (0.30) DUSP3

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