SCHEMBL24947101

SCHEMBL24947101

c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc(-n5c6ccccc6c6c7ccccc7ccc65)c4)c3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALK Q9UM73 1/20 0.31
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL24947536 0.97 MCL1 (0.32) CA12CA1CA2CA9MCL1
SCHEMBL24946964 0.97 CA12 (0.36) CA12CA1CA2CA9ALK
SCHEMBL24948714 0.96 PDE10A (0.32) PDE10A
SCHEMBL24948177 0.95 MCL1 (0.32) CA12CA1CA2CA9MCL1
SCHEMBL24947102 0.94 CDK4 (0.31)
SCHEMBL24948155 0.94 KDM4E (0.31) CA12CA1CA2CA9
SCHEMBL24947100 0.94 CA12 (0.37) CA12CA1CA2CA9ALK
SCHEMBL24948198 0.94 KDM4E (0.31) CA12CA1CA2CA9
SCHEMBL24949531 0.94 PDE10A (0.30) PDE10A
SCHEMBL24948038 0.93 PDE10A (0.31) CA12CA1CA2CA9PDE10A

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