SCHEMBL24949196

SCHEMBL24949196

c1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3ccccc3-n3c4ccccc4c4cc5ccccc5cc43)cc2)c2cccc(-c3cc4ccccc4c4ccccc34)c2)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP11B1 P15538 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
SCHEMBL27012087 0.95 MCL1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24947504 0.95 MCL1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24948585 0.95 MCL1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24948619 0.95 MCL1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24948622 0.95 MCL1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24948501 0.94 MCL1 (0.31) MCL1ACMSD
SCHEMBL24948582 0.93 AKT1 (0.31)
SCHEMBL24949364 0.93 TSPO (0.31) CYP11B1
SCHEMBL24949164 0.93 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL27012107 0.92 MCL1 (0.36) 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