SCHEMBL16613375

SCHEMBL16613375

c1ccc(-c2ccccc2-c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc3ccoc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 4/20 0.32
MAPT P10636 3/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
RORC P51449 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 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
SCHEMBL16613305 0.91 HPGD (0.36) KDM4EALDH1A1HPGDMAPTPIK3CD
SCHEMBL16613389 0.90 PIK3CD (0.30) PIK3CDPIK3CARORC
SCHEMBL16613374 0.90 PIK3CD (0.31) KDM4EALDH1A1HPGDMAPTPIK3CD
SCHEMBL16613306 0.89 ALDH1A1 (0.35) KDM4EALDH1A1HPGDMAPTPIK3CD
SCHEMBL16613611 0.89 ALDH1A1 (0.37) KDM4EALDH1A1HPGDMAPTPIK3CD
SCHEMBL16613398 0.87 PIK3CD (0.34) KDM4EALDH1A1HPGDMAPTPIK3CD
SCHEMBL16613376 0.87 PIK3CD (0.32) KDM4EALDH1A1HPGDMAPTPIK3CD
SCHEMBL16613329 0.86 KDM4E (0.33) KDM4EALDH1A1HPGDRORCL3MBTL1
SCHEMBL22211916 0.83 ALDH1A1 (0.38) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL16613307 0.82 BRD4 (0.34) KDM4EALDH1A1HPGDMAPTPIK3CD

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