SCHEMBL16613683

SCHEMBL16613683

c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(ccn5-c5ccccc5)c43)nc3occc23)cc1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL16613789 0.98
SCHEMBL16613800 0.89 DUSP3 (0.30)
SCHEMBL16613752 0.86 PIK3CD (0.32) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL15596395 0.85 ALDH1A1 (0.44) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL16613610 0.84 PIK3CD (0.31) KDM4EL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL16613247 0.84 KDM4E (0.34) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL15596399 0.83 ALDH1A1 (0.42) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL16613234 0.82 KDM4E (0.33) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL16613630 0.81 KDM4E (0.34) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL16613662 0.81

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