SCHEMBL24947491

SCHEMBL24947491

c1ccc(-c2cccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6cc7ccccc7cc65)c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
ALK Q9UM73 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PPARG P37231 8/20 0.32
PPARA Q07869 8/20 0.32
TSPO P30536 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARD Q03181 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 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
SCHEMBL24947542 0.97 MCL1 (0.35) CA12CA1CA2CA9KDM4E
SCHEMBL24947543 0.96 CA12 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL20812732 0.96 KDM4E (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL24947106 0.95 CA12 (0.37) CA12CA1CA2CA9KDM4E
SCHEMBL24947281 0.95 CA12 (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL24947290 0.95 CA12 (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL23450723 0.95 CA12 (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL24946899 0.95 CA12 (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL24090028 0.94 CA12 (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL24948004 0.94 ATM (0.40) KDM4EATML3MBTL1PDE10ATSPO

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