SCHEMBL25964916

SCHEMBL25964916

c1ccc(-c2cccc3oc4cc(-c5nc(-c6cccc(-n7c8ccccc8c8cc9c(cc87)c7ccccc7n9-c7ccccc7)c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)ccc4c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BACE1 P56817 1/20 0.34
PTGER4 P35408 2/20 0.32
HCRTR1 O43613 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.31
PRKDC P78527 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
AHR P35869 1/20 0.30
ALOX5 P09917 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL25964902 0.97 KDM4E (0.35) KDM4EATML3MBTL1BACE1PTGER4
SCHEMBL25965025 0.97 KDM4E (0.37) KDM4EATML3MBTL1BACE1PTGER4
SCHEMBL23339397 0.96 BACE1 (0.33) KDM4EATML3MBTL1BACE1PTGER4
SCHEMBL23913840 0.96 KDM4E (0.36) KDM4EATML3MBTL1BACE1PTGER4
SCHEMBL25965348 0.95 KDM4E (0.35) KDM4EATML3MBTL1BACE1TP53
SCHEMBL25964983 0.94 KDM4E (0.36) KDM4EATML3MBTL1BACE1PTGER4
SCHEMBL25965027 0.94 KDM4E (0.38) KDM4EATML3MBTL1BACE1PTGER4
SCHEMBL23558052 0.93 KDM4E (0.34) KDM4EATML3MBTL1BACE1PTGER4
SCHEMBL21583542 0.93 KDM4E (0.37) KDM4EATML3MBTL1BACE1HCRTR1
SCHEMBL25965308 0.92 KDM4E (0.35) KDM4EATML3MBTL1BACE1TP53

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
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed