SCHEMBL24948821

SCHEMBL24948821

c1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
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

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
SCHEMBL24948825 0.97 CA12 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL24948813 0.96 CA12 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL24947438 0.94 MCL1 (0.35) MCL1ACMSDCA12CA1CA2
SCHEMBL24948356 0.93 KDM4E (0.41) MCL1ACMSDCA12CA1CA2
SCHEMBL24948349 0.92 KDM4E (0.41) MCL1ACMSDCA12CA1CA2
SCHEMBL19660651 0.92 KDM4E (0.41) MCL1ACMSDCA12CA1CA2
SCHEMBL21973968 0.92 CA12 (0.40) MCL1ACMSDCA12CA1CA2
SCHEMBL24947299 0.92 KDM4E (0.41) MCL1ACMSDCA12CA1CA2
SCHEMBL24949679 0.92 MCL1 (0.32) MCL1ACMSDCA12CA1CA2
SCHEMBL24748618 0.91 CA12 (0.37) MCL1ACMSDCA12CA1CA2

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