SCHEMBL16613308

SCHEMBL16613308

c1ccc(-c2ccccc2-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccoc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
PTGER4 P35408 1/20 0.34
NPY5R Q15761 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
RORC P51449 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16613399 0.92 KDM4E (0.40) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL16613473 0.91 KDM4E (0.36) KDM4EL3MBTL1ATMPTGER4ALDH1A1
SCHEMBL16613471 0.91 KDM4E (0.39) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL16613611 0.89 ALDH1A1 (0.37) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613472 0.89 KDM4E (0.35) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL16613401 0.89 KDM4E (0.38) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL16613500 0.89 KDM4E (0.38) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL16613391 0.88 KDM4E (0.37) KDM4EL3MBTL1ATMPTGER4NPY5R
SCHEMBL16613400 0.88 KDM4E (0.33) KDM4EL3MBTL1ATMPTGER4ALDH1A1
SCHEMBL16613579 0.86 KDM4E (0.37) KDM4EL3MBTL1ATMPTGER4NPY5R

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