SCHEMBL24844522

SCHEMBL24844522

c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7-n7c8ccccc8c8ccc9ccccc9c87)cc6)cc5)c4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccc6ccccc6c54)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PDE6D O43924 1/20 0.33
MAPK14 Q16539 1/20 0.32
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSPO P30536 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DUSP3 P51452 1/20 0.31
SLC6A9 P48067 1/20 0.30
POLB P06746 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
SCHEMBL20009738 0.96 CA12 (0.34) CA12CA1CA2CA9PDE6D
SCHEMBL24902344 0.95 KDM4E (0.35) CA12CA1CA2CA9PDE6D
SCHEMBL20009769 0.95 KDM4E (0.35) CA12CA1CA2CA9PDE6D
SCHEMBL24119024 0.95 KDM4E (0.35) CA12CA1CA2CA9PDE6D
SCHEMBL24118949 0.94 TSPO (0.33) CA12CA1CA2CA9PDE6D
SCHEMBL20009809 0.94 KDM4E (0.31) CA12CA1CA2CA9PDE6D
SCHEMBL24947066 0.94 CA12 (0.36) CA12CA1CA2CA9PDE6D
SCHEMBL20009737 0.94 KDM4E (0.34) PDE6DMAPK14KDM4EATML3MBTL1
SCHEMBL24119132 0.94 KDM4E (0.34) PDE6DMAPK14KDM4EATML3MBTL1
SCHEMBL24949171 0.94 CA12 (0.36) CA12CA1CA2CA9PDE6D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230006161-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-05 US disclosed