SCHEMBL24948770

SCHEMBL24948770

c1ccc(-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc(-c4cccc(-n5c6ccccc6c6c7ccccc7ccc65)c4)c(-c4ccccc4)c3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
NTSR1 P30989 2/20 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
SCHEMBL24947548 0.95 KDM4E (0.31)
SCHEMBL24947100 0.94 CA12 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL20812733 0.93 PDE10A (0.33) CA12CA1CA2CA9
SCHEMBL24949875 0.92 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL24947545 0.92 MCL1 (0.30) MCL1ACMSD
SCHEMBL25087743 0.91 MCL1 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL25087783 0.91 MCL1 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL24948053 0.91 CA12 (0.39) MCL1ACMSDCA12CA1CA2
SCHEMBL24947949 0.90 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL25087780 0.90 MCL1 (0.38) 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 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