SCHEMBL21708989

SCHEMBL21708989

c1ccc(-c2cccc3c2c2ccccc2n3-c2cccc(-c3cccc4ccccc34)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MCL1 Q07820 3/20 0.39
ACMSD Q8TDX5 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
TNF P01375 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPK14 Q16539 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
MPI P34949 1/20 0.36
KMT2A Q03164 1/20 0.36
NTSR1 P30989 2/20 0.36

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
SCHEMBL21128998 0.92 L3MBTL1 (0.46) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL8739885 0.88 L3MBTL1 (0.50) KDM4EATML3MBTL1MAPK14MAPT
SCHEMBL25972764 0.88 L3MBTL1 (0.46) KDM4EATML3MBTL1MAPK14MAPT
SCHEMBL21129000 0.88 L3MBTL1 (0.42) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL27453140 0.88 L3MBTL1 (0.42) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL25972736 0.88 ATM (0.41) KDM4EATML3MBTL1CA12CA1
SCHEMBL19769487 0.87 L3MBTL1 (0.50) KDM4EATML3MBTL1MAPK14MAPT
SCHEMBL22585003 0.86 L3MBTL1 (0.46) KDM4EATML3MBTL1MAPK14MAPT
SCHEMBL15502595 0.86 L3MBTL1 (0.46) KDM4EATML3MBTL1MAPK14MAPT
SCHEMBL21142251 0.86 ATM (0.49) KDM4EATML3MBTL1MAPK14MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed