Sugi Predict

Sugi Predict / Compounds / SCHEMBL24949753

SCHEMBL24949753

SCHEMBL24949753

c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5-n5c6ccccc6c6c7ccccc7ccc65)cc4)c4cccc(-c5cccc6ccccc56)c4)cc3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ NTSR1 P30989 2/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ ALK Q9UM73 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
SCHEMBL24948789 0.96 CA12 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL24949754 0.93 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL24948678 0.93 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL24948837 0.91 MAPK14 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL24949742 0.90 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL24947032 0.90 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24949027 0.90 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24972330 0.90 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24947100 0.89 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24947949 0.89 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 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