SCHEMBL25964686

SCHEMBL25964686

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHEK2 O96017 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PTGER4 P35408 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 1/20 0.32
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
PLA2G2A P14555 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
SCHEMBL24078351 1.00 KDM4E (0.37) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL25964682 0.96 KDM4E (0.35) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL25964666 0.96 KDM4E (0.35) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL21365923 0.96 KDM4E (0.37) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL26473039 0.96 KDM4E (0.37) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL21365778 0.96 KDM4E (0.34) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL21365904 0.96 KDM4E (0.34) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL19769877 0.95 KDM4E (0.36) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL15625706 0.95 CHEK2 (0.34) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL25964756 0.95 KDM4E (0.38) KDM4EATML3MBTL1PTGER4SMN1; SMN2

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