SCHEMBL17033503

SCHEMBL17033503

c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccc4c(nc5c6ccccc6c6ccccc6n45)c32)c1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.32
KDM4E B2RXH2 2/20 0.30
POLB P06746 2/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL17033693 0.86 MKNK1 (0.32) DUSP3MKNK1MKNK2
SCHEMBL17033509 0.83 KDM4E (0.39) DUSP3KDM4EPOLBATML3MBTL1
SCHEMBL16066131 0.80 KDM4E (0.44) KDM4EPOLBATMMEN1ALDH1A1
SCHEMBL10027545 0.80 KDM4E (0.42) DUSP3KDM4EPOLBATML3MBTL1
SCHEMBL17033779 0.80 DUSP3 (0.34) DUSP3KDM4EPOLBATML3MBTL1
SCHEMBL17033678 0.79 GAA (0.36) KDM4EPOLBATML3MBTL1MEN1
SCHEMBL17033717 0.79 PDE4A (0.36) KDM4EPOLBALDH1A1MAPTHPGD
SCHEMBL17033688 0.79 MAPT (0.39) KDM4EPOLBMEN1ALDH1A1MAPT
SCHEMBL17033696 0.79 KDM4E (0.32) KDM4EPOLBALDH1A1HPGD
SCHEMBL17033480 0.79 ALDH1A1 (0.33) KDM4EPOLBATML3MBTL1ALDH1A1

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