SCHEMBL16613391

SCHEMBL16613391

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4ccoc34)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PTGER4 P35408 1/20 0.36
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPY5R Q15761 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIK3CD O00329 3/20 0.31
PIK3CA P42336 3/20 0.31
ABCG2 Q9UNQ0 2/20 0.31
RORC P51449 1/20 0.31
MTOR P42345 2/20 0.31
MAPT P10636 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
SCHEMBL16613399 0.92 KDM4E (0.40) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL16613471 0.91 KDM4E (0.39) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL16613613 0.89 ALDH1A1 (0.37) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL16613401 0.89 KDM4E (0.38) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL16613500 0.89 KDM4E (0.38) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL16613308 0.88 KDM4E (0.37) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL16613473 0.85 KDM4E (0.36) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL12034073 0.84 L3MBTL1 (0.51) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL17691607 0.84 L3MBTL1 (0.51) KDM4EATML3MBTL1PTGER4KMT2A
SCHEMBL29363495 0.84 L3MBTL1 (0.51) KDM4EATML3MBTL1PTGER4KMT2A

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