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Sugi Predict / Compounds / SCHEMBL24747925

SCHEMBL24747925

SCHEMBL24747925

c1ccc(-c2cccc(-c3ccc(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4cc(-c5cccc6ccccc56)ccc4-c4ccccc4)cc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ MCL1 Q07820 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NTSR1 P30989 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ SLC6A9 P48067 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
SCHEMBL24749576 0.98 MCL1 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL24748911 0.98 MCL1 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL24748982 0.97 MCL1 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24748621 0.96 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24750888 0.96 CA12 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL24748969 0.96 CA12 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL24750824 0.96 MCL1 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL24748008 0.95 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL24750905 0.94 CA12 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL24749542 0.94 MCL1 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022259886-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2022-12-15 — — WO disclosed