SCHEMBL24949875

SCHEMBL24949875

c1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c(-c4ccccc4)c3)cc2)cc1

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 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NTSR1 P30989 2/20 0.32
PDE10A Q9Y233 1/20 0.31
PPARG P37231 5/20 0.31
PPARA Q07869 5/20 0.31
MAPK14 Q16539 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
TNF P01375 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 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
SCHEMBL25087783 0.99 MCL1 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL25087743 0.99 MCL1 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL25087780 0.98 MCL1 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL25087546 0.98 MCL1 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL25087741 0.98 MCL1 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL25087785 0.97 CA12 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL25087537 0.97 MCL1 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL24948749 0.97 MCL1 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL25087547 0.96 CA12 (0.38) MCL1ACMSDCA12CA1CA2
SCHEMBL24946897 0.96 CA12 (0.39) 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