SCHEMBL24947516

SCHEMBL24947516

c1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccccc3-n3c4ccccc4c4cc5ccccc5cc43)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PIM1 P11309 2/20 0.33
AKT1 P31749 1/20 0.32
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 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
SCHEMBL24902267 0.96 CA12 (0.38) CA12CA1CA2CA9PIM1
SCHEMBL24946945 0.96 CA12 (0.38) CA12CA1CA2CA9PIM1
SCHEMBL24902634 0.95 CA12 (0.37) CA12CA1CA2CA9PIM1
SCHEMBL24949164 0.95 MCL1 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL27012087 0.95 MCL1 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL24947504 0.95 MCL1 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL23154749 0.95 CA12 (0.39) CA12CA1CA2CA9PIM1
SCHEMBL24902637 0.94 CA12 (0.36) CA12CA1CA2CA9PIM1
SCHEMBL27308201 0.93 CA12 (0.37) CA12CA1CA2CA9PIM1
SCHEMBL27308189 0.93 CA12 (0.37) CA12CA1CA2CA9PIM1

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