SCHEMBL24949414

SCHEMBL24949414

c1cc(-c2ccc(N(c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc(-c2cccc3ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE10A Q9Y233 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32

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
SCHEMBL24947585 0.99 MCL1 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL21972451 0.98 CA12 (0.41) CA12CA1CA2CA9MCL1
SCHEMBL21971241 0.98 CA12 (0.41) CA12CA1CA2CA9MCL1
SCHEMBL26034278 0.98 MCL1 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL24946797 0.98 MCL1 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL24090028 0.97 CA12 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL21972450 0.97 KDM4E (0.38) CA12CA1CA2CA9MCL1
SCHEMBL24947085 0.96 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL17539925 0.96 CA12 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL16639377 0.96 CA12 (0.40) 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