SCHEMBL16613380

SCHEMBL16613380

c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5ccccc54)nc4cn(-c5ccccc5)cc34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ATM Q13315 2/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
ABCG2 Q9UNQ0 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.33
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
ACP1 P24666 2/20 0.32
PDE5A O76074 1/20 0.31
IL1R1 P14778 1/20 0.31
USP2 O75604 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
SCHEMBL16613298 0.90 KDM4E (0.44) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613316 0.89 MAPT (0.31) KDM4EATMALDH1A1HPGDNPSR1
SCHEMBL16613319 0.88 KDM4E (0.43) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613379 0.85 KDM4E (0.38) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613292 0.85 KDM4E (0.37) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613271 0.84 KDM4E (0.37) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL12014855 0.84 ALDH1A1 (0.49) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613318 0.81 KDM4E (0.37) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613279 0.80 KDM4E (0.34) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613315 0.80 TUBB4A (0.35) 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