SCHEMBL16613271

SCHEMBL16613271

c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc4cn(-c5ccccc5)cc34)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
NPSR1 Q6W5P4 4/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
ADORA2A P29274 2/20 0.32
PDE10A Q9Y233 1/20 0.32
CFTR P13569 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
USP2 O75604 1/20 0.31
CASP1 P29466 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
SCHEMBL16613379 0.94 KDM4E (0.38) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL16613315 0.92 TUBB4A (0.35) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL16613319 0.91 KDM4E (0.43) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL16613298 0.91 KDM4E (0.44) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL16613279 0.90 KDM4E (0.34) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL18505337 0.85 ALDH1A1 (0.51) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL16613380 0.84 KDM4E (0.37) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL16613292 0.84 KDM4E (0.37) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL16613272 0.83 KDM4E (0.35) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL16613377 0.83 KDM4E (0.31) KDM4EALDH1A1NPSR1HPGDMAPT

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