SCHEMBL24949685

SCHEMBL24949685

c1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccccc3-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)cc2)cc(-c2cccc3ccccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

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 0.33
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 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
SCHEMBL24949679 0.97 MCL1 (0.32) CA12CA1CA2CA9ALK
SCHEMBL24947536 0.94 MCL1 (0.32) CA12CA1CA2CA9MCL1
SCHEMBL24947101 0.93 CA12 (0.34) CA12CA1CA2CA9ALK
SCHEMBL24252048 0.92 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL24971694 0.92 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL24948825 0.92 CA12 (0.38) CA12CA1CA2CA9ALK
SCHEMBL24679811 0.91 CA12 (0.35) CA12CA1CA2CA9ALK
SCHEMBL24947032 0.91 CA12 (0.37) CA12CA1CA2CA9ALK
SCHEMBL24972330 0.91 CA12 (0.37) CA12CA1CA2CA9ALK
SCHEMBL24949027 0.91 CA12 (0.37) CA12CA1CA2CA9ALK

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