Sugi Predict

Sugi Predict / Compounds / SCHEMBL24949415

SCHEMBL24949415

SCHEMBL24949415

c1ccc(-c2ccc(N(c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c3ccc(-c4cccc5ccccc45)cc3-c3ccccc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 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
▸ PDE10A Q9Y233 1/20 0.32
▸ SLC6A9 P48067 1/20 0.32
▸ EDNRB P24530 1/20 0.31
▸ EDNRA P25101 1/20 0.31
▸ ALK Q9UM73 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
SCHEMBL24948854 0.97 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL21971828 0.96 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL21971838 0.96 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL21972431 0.95 KDM4E (0.38) CA12CA1CA2CA9MCL1
SCHEMBL24949268 0.94 MCL1 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL24949293 0.94 CA12 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL24947395 0.93 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24948634 0.93 MCL1 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL24947097 0.93 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL21970746 0.93 KDM4E (0.39) 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-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 — — WO disclosed