SCHEMBL24948654

SCHEMBL24948654

c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)c4cccc(-c5cccc6ccccc56)c4)cc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
SLC6A9 P48067 1/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
MAPK14 Q16539 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NTSR1 P30989 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TNF P01375 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31

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
SCHEMBL22132222 1.00 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL24902987 1.00 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL24902284 1.00 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL24902340 1.00 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL24902326 0.99 MCL1 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL24903108 0.99 CA12 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL24902643 0.99 CA12 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL24902980 0.99 MCL1 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL23154754 0.99 CA12 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL24948624 0.98 MCL1 (0.39) CA12CA1CA2CA9MCL1

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