SCHEMBL24948439

SCHEMBL24948439

c1ccc(-c2cccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 1/20 0.37
ACMSD Q8TDX5 1/20 0.37
ALK Q9UM73 1/20 0.36
HDAC4 P56524 1/20 0.35
PPARG P37231 5/20 0.33
PPARA Q07869 5/20 0.33
MAPK14 Q16539 1/20 0.33
SLC6A9 P48067 1/20 0.33
TNF P01375 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 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
SCHEMBL24949249 1.00 CA12 (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL24948446 1.00 CA12 (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL19151989 0.97 CA12 (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL21973968 0.96 CA12 (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL24946653 0.96 KDM4E (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL21973736 0.96 KDM4E (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL24946650 0.96 KDM4E (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL24090146 0.95 CA12 (0.43) CA12CA1CA2CA9KDM4E
SCHEMBL24947290 0.94 CA12 (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL24947281 0.94 CA12 (0.38) 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