SCHEMBL16613537

SCHEMBL16613537

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cccc(-c6cccc7ccccc67)c5)c5ccoc5n4)ccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
NTSR1 P30989 1/20 0.31
TLR4 O00206 1/20 0.31
ALK Q9UM73 1/20 0.30
PTGER4 P35408 1/20 0.30
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 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
SCHEMBL16613493 0.94 KDM4E (0.35) KDM4EATML3MBTL1CA12CA1
SCHEMBL16613492 0.92 KDM4E (0.36) KDM4EATML3MBTL1ALKPTGER4
SCHEMBL16613536 0.92 KDM4E (0.38) KDM4EATML3MBTL1PTGER4
SCHEMBL16613491 0.89 KDM4E (0.40) KDM4EATML3MBTL1PTGER4
SCHEMBL16613462 0.88 KDM4E (0.39) KDM4EATML3MBTL1PTGER4
SCHEMBL16613579 0.88 KDM4E (0.37) KDM4EATML3MBTL1PTGER4
SCHEMBL16613400 0.87 KDM4E (0.33) KDM4EATML3MBTL1TLR4PTGER4
SCHEMBL16613580 0.87 KDM4E (0.36) KDM4EATML3MBTL1PTGER4
SCHEMBL16613577 0.85 ALDH1A1 (0.30) ENPP3ENPP1
SCHEMBL10130142 0.82 L3MBTL1 (0.50) KDM4EATML3MBTL1CA12CA1

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