SCHEMBL24948824

SCHEMBL24948824

c1ccc(-c2ccc(N(c3ccccc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-c4cccc5ccccc45)cc3-c3ccccc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
HDAC4 P56524 1/20 0.33
SLC6A9 P48067 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
NTSR1 P30989 2/20 0.31
MAPK14 Q16539 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TNF P01375 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
SCHEMBL24948042 0.96 KDM4E (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL24949683 0.95 CA12 (0.33) CA12CA1CA2CA9KDM4E
SCHEMBL24948631 0.95 CA12 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL24949509 0.94 KDM4E (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL24947395 0.94 CA12 (0.37) CA12CA1CA2CA9KDM4E
SCHEMBL24949507 0.93 CA12 (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL21971502 0.93 CA12 (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL24949237 0.93 KDM4E (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL27361370 0.93 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL27361077 0.93 CA12 (0.36) 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