SCHEMBL24948745

SCHEMBL24948745

c1ccc(-c2ccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
PPARG P37231 5/20 0.33
PPARA Q07869 5/20 0.33
MAPK14 Q16539 1/20 0.33
TNF P01375 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NTSR1 P30989 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33

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
SCHEMBL24948739 0.96 CA12 (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL24948834 0.94 CA12 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL25000256 0.93 CA12 (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL21974071 0.93 KDM4E (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL25087741 0.92 MCL1 (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL25087546 0.92 MCL1 (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL24946897 0.92 CA12 (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL24949265 0.92 KDM4E (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL21970908 0.91 KDM4E (0.45) CA12CA1CA2CA9KDM4E
SCHEMBL21970833 0.91 KDM4E (0.45) CA12CA1CA2CA9KDM4E

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