SCHEMBL24949896

SCHEMBL24949896

c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-n5c6ccccc6c6ccc7ccccc7c65)cc4)c4cccc(-c5cccc6ccccc56)c4)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
MAPK14 Q16539 1/20 0.32
NTSR1 P30989 2/20 0.32
PDE6D O43924 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL24949171 0.98 CA12 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL24948026 0.98 CA12 (0.37) MCL1ACMSDCA12CA1CA2
SCHEMBL24948475 0.98 MCL1 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL24949195 0.98 MCL1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24947498 0.98 MCL1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24948499 0.97 CA12 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL20009738 0.96 CA12 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL24948472 0.95 MCL1 (0.33) MCL1ACMSDCA12CA1CA2
SCHEMBL24947066 0.95 CA12 (0.36) MCL1ACMSDCA12CA1CA2
SCHEMBL24948479 0.94 CA12 (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