SCHEMBL16613399

SCHEMBL16613399

c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccoc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
ATM Q13315 1/20 0.40
PTGER4 P35408 1/20 0.36
NPY5R Q15761 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
MAPK1 P28482 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL16613471 0.99 KDM4E (0.39) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL16613401 0.95 KDM4E (0.38) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL16613500 0.95 KDM4E (0.38) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL16613308 0.92 KDM4E (0.37) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL16613391 0.92 KDM4E (0.37) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL16613472 0.91 KDM4E (0.35) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL16613400 0.89 KDM4E (0.33) KDM4EL3MBTL1ATMPTGER4ALDH1A1
SCHEMBL16613473 0.89 KDM4E (0.36) KDM4EL3MBTL1ATMPTGER4ALDH1A1
SCHEMBL16613671 0.88 HPGD (0.41) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613768 0.88 HPGD (0.43) KDM4EL3MBTL1ATMALDH1A1HPGD

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