SCHEMBL25964618

SCHEMBL25964618

c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHEK2 O96017 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
PLA2G2A P14555 2/20 0.34
PLA2G4A P47712 2/20 0.34
PTGER4 P35408 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL25964649 0.96 KDM4E (0.35) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL15625687 0.95 KDM4E (0.37) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL22049926 0.95 KDM4E (0.37) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL21365924 0.95 KDM4E (0.37) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL21365903 0.95 KDM4E (0.36) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL25627354 0.95 L3MBTL1 (0.39) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL22049431 0.94 CHEK2 (0.36) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL26785973 0.94 KDM4E (0.36) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL22049927 0.94 KDM4E (0.40) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL21668782 0.93 KDM4E (0.37) KDM4EATML3MBTL1CHEK2SIRT2

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