SCHEMBL25965852

SCHEMBL25965852

c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5nc(-c6ccc7c(c6)oc6ccccc67)nc(-n6c7ccccc7c7ccccc76)n5)c4cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AHR P35869 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
PTGER4 P35408 2/20 0.33
LMNA P02545 2/20 0.33
HCRTR1 O43613 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
TTR P02766 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CHEK2 O96017 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
SCHEMBL25965891 0.96 KDM4E (0.43) KDM4EATML3MBTL1AHRALDH1A1
SCHEMBL25965850 0.95 KDM4E (0.40) KDM4EATML3MBTL1AHRALDH1A1
SCHEMBL19769736 0.95 KDM4E (0.40) KDM4EATML3MBTL1AHRALDH1A1
SCHEMBL24078211 0.95 ATM (0.38) KDM4EATML3MBTL1AHRALDH1A1
SCHEMBL22049395 0.94 KDM4E (0.39) KDM4EATML3MBTL1AHRALDH1A1
SCHEMBL23601946 0.94 KDM4E (0.43) KDM4EATML3MBTL1AHRALDH1A1
SCHEMBL25965848 0.93 KDM4E (0.38) KDM4EATML3MBTL1AHRALDH1A1
SCHEMBL23039479 0.93 KDM4E (0.40) KDM4EATML3MBTL1AHRALDH1A1
SCHEMBL19769739 0.92 ATM (0.38) KDM4EATML3MBTL1AHRALDH1A1
SCHEMBL22049394 0.92 KDM4E (0.36) KDM4EATML3MBTL1AHRALDH1A1

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