SCHEMBL24949620

SCHEMBL24949620

c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)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
MAPK14 Q16539 1/20 0.35
PDE6D O43924 1/20 0.34
PPARG P37231 7/20 0.33
PPARA Q07869 7/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TNF P01375 1/20 0.33
HDAC4 P56524 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
PPARD Q03181 1/20 0.32
CYP1A2 P05177 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL24949613 1.00 CA12 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL15138185 0.98 CA12 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL24947944 0.96 KDM4E (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL20009818 0.95 L3MBTL1 (0.37) KDM4EATML3MBTL1MAPK14PDE6D
SCHEMBL20812940 0.95 L3MBTL1 (0.37) KDM4EATML3MBTL1MAPK14PDE6D
SCHEMBL24949624 0.95 CA12 (0.37) CA12CA1CA2CA9KDM4E
SCHEMBL24949622 0.95 CA12 (0.37) CA12CA1CA2CA9KDM4E
SCHEMBL20009830 0.94 KDM4E (0.36) KDM4EATML3MBTL1MAPK14PDE6D
SCHEMBL24949615 0.94 KDM4E (0.36) KDM4EATML3MBTL1MAPK14PDE6D
SCHEMBL24947953 0.93 MCL1 (0.36) CA12CA1CA2CA9KDM4E

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