SCHEMBL24947408

SCHEMBL24947408

c1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
PPARG P37231 5/20 0.33
PPARA Q07869 5/20 0.33
MAPK14 Q16539 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TNF P01375 1/20 0.33
NTSR1 P30989 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32

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
SCHEMBL24948851 0.99 KDM4E (0.38) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL24948849 0.97 KDM4E (0.38) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL24947441 0.97 CA12 (0.35) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL24948631 0.96 CA12 (0.36) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL24947395 0.95 CA12 (0.37) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL24748680 0.95 CA12 (0.37) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL24947410 0.94 CA12 (0.34) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL24946791 0.94 CA12 (0.40) KDM4EATML3MBTL1MCL1ACMSD
SCHEMBL24948853 0.93 L3MBTL1 (0.42) KDM4EATML3MBTL1MAPK14
SCHEMBL24948850 0.93 L3MBTL1 (0.42) KDM4EATML3MBTL1MAPK14

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-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed