SCHEMBL24948825

SCHEMBL24948825

c1cc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc(-c2cccc3ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
ALK Q9UM73 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 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
SCHEMBL24948813 0.99 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24948821 0.97 MCL1 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL24948604 0.94 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL24948634 0.93 MCL1 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL24748618 0.93 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24949295 0.93 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL15752467 0.92 KDM4E (0.40) KDM4EATML3MBTL1HDAC4
SCHEMBL24949685 0.92 CA12 (0.34) CA12CA1CA2CA9MCL1
SCHEMBL24949293 0.92 CA12 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL24948819 0.91 L3MBTL1 (0.41) KDM4EATML3MBTL1HDAC4

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