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SCHEMBL24947448

SCHEMBL24947448

c1ccc(-c2cc(-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5ccccc45)c3)cc(-n3c4ccccc4c4ccccc43)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL24949295 0.97 CA12 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL26492099 0.95 MCL1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL26488634 0.95 CA12 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL16731099 0.94 CA12 (0.35) MCL1ACMSDCA12CA1CA2
SCHEMBL16731130 0.94 TSPO (0.33) MCL1ACMSDCA12CA1CA2
SCHEMBL24948863 0.94 CA12 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL16731281 0.93 TSPO (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24948634 0.93 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL24948813 0.93 CA12 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL24947104 0.92 CA12 (0.34) MCL1ACMSDCA12CA1CA2

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