SCHEMBL17033628

SCHEMBL17033628

c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccc4cc5c6ccccc6c6ccccc6n5c4c32)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
DUSP3 P51452 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
FTO Q9C0B1 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
SCHEMBL17033622 0.89 ATM (0.39) KDM4EATML3MBTL1MEN1ALDH1A1
SCHEMBL17033657 0.87 KDM4E (0.35) KDM4EATML3MBTL1ALDH1A1POLB
SCHEMBL17033667 0.86 HPRT1 (0.38) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL17033637 0.86 HSD17B1 (0.38) KDM4EATML3MBTL1MEN1KMT2A
SCHEMBL17033675 0.86 KDM4E (0.36) KDM4EATML3MBTL1MEN1ALDH1A1
SCHEMBL17033601 0.85 KDM4E (0.36) KDM4EATML3MBTL1MEN1ALDH1A1
SCHEMBL19863517 0.84 KDM4E (0.59) KDM4EATML3MBTL1MEN1ALDH1A1
SCHEMBL17033838 0.84 KDM4E (0.42) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL17033599 0.84 HSD17B1 (0.36) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL17033605 0.83 PDE10A (0.34) KDM4EATML3MBTL1MEN1ALDH1A1

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed