SCHEMBL17033779

SCHEMBL17033779

c1cc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccc4c(cc5c6ccccc6c6ccccc6n54)c32)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
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
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.31
FTO Q9C0B1 1/20 0.31
PTPN1 P18031 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
SCHEMBL17033433 0.87 MEN1 (0.36) DUSP3KDM4EATML3MBTL1MEN1
SCHEMBL17033708 0.84 DUSP3 (0.33) DUSP3KDM4EATML3MBTL1MEN1
SCHEMBL17033829 0.84 KDM4E (0.33) KDM4EATML3MBTL1POLBMKNK1
SCHEMBL10027545 0.83 KDM4E (0.42) DUSP3KDM4EATML3MBTL1MEN1
SCHEMBL17033490 0.82 KDM4E (0.34) DUSP3KDM4EATML3MBTL1ALDH1A1
SCHEMBL17033503 0.80 DUSP3 (0.32) DUSP3KDM4EATML3MBTL1MEN1
SCHEMBL17033761 0.79 KDM4E (0.46) DUSP3KDM4EATML3MBTL1MEN1
SCHEMBL10027511 0.79 DUSP3 (0.37) DUSP3KDM4EATML3MBTL1POLB
SCHEMBL17033436 0.78 TSHR (0.36) KDM4EATML3MBTL1MEN1ALDH1A1
SCHEMBL17033421 0.78 KDM4E (0.34) KDM4E

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