SCHEMBL16613329

SCHEMBL16613329

c1ccc(-n2c3ccccc3c3cccc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5ccoc45)c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RORC P51449 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
SCHEMBL16613614 0.91 KDM4E (0.40) KDM4EL3MBTL1ATMMEN1ALDH1A1
SCHEMBL16613374 0.89 PIK3CD (0.31) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613389 0.87 PIK3CD (0.30) RORC
SCHEMBL16613490 0.86 KDM4E (0.33) KDM4EL3MBTL1ATM
SCHEMBL16613375 0.86 KDM4E (0.32) KDM4EL3MBTL1ATMALDH1A1HPGD
SCHEMBL16613473 0.85 KDM4E (0.36) KDM4EL3MBTL1ATMMEN1ALDH1A1
SCHEMBL16613371 0.85 KDM4E (0.33) KDM4EL3MBTL1ATM
SCHEMBL16613305 0.83 HPGD (0.36) KDM4EL3MBTL1MEN1ALDH1A1HPGD
SCHEMBL16613270 0.82 KDM4E (0.33) KDM4EL3MBTL1ATM
SCHEMBL16613423 0.82 KDM4E (0.33) KDM4EL3MBTL1ATM

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