SCHEMBL17033486

SCHEMBL17033486

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)cc5c6ccccc6c6ccccc6n75)c4)cc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE10A Q9Y233 1/20 0.35
PTGER4 P35408 1/20 0.33
NPY5R Q15761 1/20 0.33
TSPO P30536 1/20 0.32
KMT2A Q03164 5/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
MEN1 O00255 4/20 0.32
ABCG2 Q9UNQ0 3/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
RAC2 P15153 1/20 0.31
RAC3 P60763 1/20 0.31
CDC42 P60953 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
SCHEMBL17033620 0.97 KDM4E (0.38) KDM4EATML3MBTL1PDE10APTGER4
SCHEMBL17033478 0.95 KDM4E (0.39) KDM4EATML3MBTL1PDE10APTGER4
SCHEMBL17033460 0.95 KDM4E (0.41) KDM4EATML3MBTL1PDE10APTGER4
SCHEMBL17033772 0.93 KDM4E (0.35) KDM4EATML3MBTL1PDE10APTGER4
SCHEMBL16066190 0.93 KDM4E (0.39) KDM4EATML3MBTL1PDE10APTGER4
SCHEMBL17033469 0.93 ATM (0.45) KDM4EATML3MBTL1PDE10ANPY5R
SCHEMBL17033617 0.92 KDM4E (0.38) KDM4EATML3MBTL1PDE10APTGER4
SCHEMBL17033598 0.92 KDM4E (0.40) KDM4EATML3MBTL1PDE10APTGER4
SCHEMBL17033491 0.92 ATM (0.41) KDM4EATML3MBTL1PTGER4NPY5R
SCHEMBL17033752 0.91 KDM4E (0.38) KDM4EATML3MBTL1PDE10APTGER4

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