SCHEMBL24252048

SCHEMBL24252048

c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE6D O43924 1/20 0.32
PPARG P37231 5/20 0.31
PPARA Q07869 5/20 0.31
MAPK14 Q16539 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
TNF P01375 1/20 0.30
HDAC4 P56524 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PPARD Q03181 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
SCHEMBL24971694 1.00 CA12 (0.33) CA12CA1CA2CA9KDM4E
SCHEMBL24946722 0.99 KDM4E (0.33) CA12CA1CA2CA9KDM4E
SCHEMBL24947989 0.97 KDM4E (0.35) KDM4EATML3MBTL1PDE6DHDAC4
SCHEMBL24374122 0.97 KDM4E (0.35) KDM4EATML3MBTL1PDE6DHDAC4
SCHEMBL24946727 0.97 KDM4E (0.35) KDM4EATML3MBTL1PDE6DHDAC4
SCHEMBL24946726 0.97 KDM4E (0.35) KDM4EATML3MBTL1PDE6DHDAC4
SCHEMBL24374074 0.97 KDM4E (0.35) KDM4EATML3MBTL1PDE6DHDAC4
SCHEMBL24946732 0.97 KDM4E (0.35) KDM4EATML3MBTL1PDE6DHDAC4
SCHEMBL20009843 0.96 KDM4E (0.34) KDM4EATML3MBTL1PDE6DHDAC4
SCHEMBL24947995 0.95 KDM4E (0.33) KDM4EATML3MBTL1PDE6DHDAC4

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 3 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
US-20220052271-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2022-02-17 US disclosed