SCHEMBL25964682

SCHEMBL25964682

c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHEK2 O96017 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
PTGER4 P35408 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31

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
SCHEMBL25964666 1.00 KDM4E (0.35) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL24078351 0.96 KDM4E (0.37) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL25964686 0.96 KDM4E (0.37) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL25965074 0.95 KDM4E (0.33) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL25965068 0.95 KDM4E (0.33) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL25964777 0.95 KDM4E (0.36) KDM4EATML3MBTL1PTGER4LMNA
SCHEMBL25964754 0.95 KDM4E (0.36) KDM4EATML3MBTL1PTGER4LMNA
SCHEMBL24914716 0.95 KDM4E (0.33) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL24914719 0.95 KDM4E (0.33) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL12691271 0.94 CHEK2 (0.32) CHEK2PLA2G10PLA2G2APLA2G4A

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