SCHEMBL23339397

SCHEMBL23339397

c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)c3)nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGER4 P35408 1/20 0.31
HCRTR1 O43613 1/20 0.31
TP53 P04637 1/20 0.30
PRKDC P78527 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
SCHEMBL25964916 0.96 KDM4E (0.36) BACE1KDM4EATML3MBTL1PTGER4
SCHEMBL25965025 0.95 KDM4E (0.37) BACE1KDM4EATML3MBTL1PTGER4
SCHEMBL23913840 0.94 KDM4E (0.36) BACE1KDM4EATML3MBTL1PTGER4
SCHEMBL25964902 0.93 KDM4E (0.35) BACE1KDM4EATML3MBTL1PTGER4
SCHEMBL27443915 0.93 KDM4E (0.35) BACE1KDM4EATML3MBTL1PTGER4
SCHEMBL23558052 0.93 KDM4E (0.34) BACE1KDM4EATML3MBTL1PTGER4
SCHEMBL21583542 0.93 KDM4E (0.37) BACE1KDM4EATML3MBTL1HCRTR1
SCHEMBL27443941 0.92 KDM4E (0.35) KDM4EATML3MBTL1PTGER4PRKDC
SCHEMBL24264007 0.92 CHEK2 (0.34) BACE1KDM4EATML3MBTL1PTGER4
SCHEMBL23339581 0.92 BACE1 (0.34) BACE1KDM4EPTGER4HCRTR1PRKDC

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
WO-2021085969-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, COMPOSITION FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2021-05-06 WO disclosed