SCHEMBL16613293

SCHEMBL16613293

c1ccc(-n2cc3nc(-n4c5ccccc5c5ccccc54)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DUSP3 P51452 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP7 P55210 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL16613270 0.91 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL16613318 0.89 KDM4E (0.37) KDM4EATML3MBTL1DUSP3MAPK1
SCHEMBL16613320 0.87 KDM4E (0.36) KDM4EATML3MBTL1MAPK1HTT
SCHEMBL16613292 0.87 KDM4E (0.37) KDM4EATML3MBTL1MAPK1HTT
SCHEMBL16613298 0.84 KDM4E (0.44) KDM4EATML3MBTL1MAPK1HTT
SCHEMBL16613272 0.83 KDM4E (0.35) KDM4EATML3MBTL1MAPK1CYP2C19
SCHEMBL16613321 0.82 ALOX5 (0.33) KDM4EATML3MBTL1
SCHEMBL16613354 0.82 KDM4E (0.41) KDM4EATML3MBTL1DUSP3MAPK1
SCHEMBL16613382 0.82 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL16613319 0.81 KDM4E (0.43) KDM4EATML3MBTL1MAPK1HTT

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