SCHEMBL24948813

SCHEMBL24948813

c1ccc(-c2cccc(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALK Q9UM73 1/20 0.33
HDAC4 P56524 1/20 0.32
SLC6A9 P48067 1/20 0.31
NTSR1 P30989 2/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
MAPK14 Q16539 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL24948825 0.99 CA12 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL24948821 0.96 MCL1 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL24949295 0.94 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24748618 0.94 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24948634 0.94 MCL1 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL15752467 0.94 KDM4E (0.40) KDM4EATML3MBTL1HDAC4MAPK14
SCHEMBL24903009 0.93 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24949293 0.93 CA12 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL24947299 0.92 KDM4E (0.41) CA12CA1CA2CA9MCL1
SCHEMBL24948349 0.92 KDM4E (0.41) CA12CA1CA2CA9MCL1

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