SCHEMBL28877240

SCHEMBL28877240

Fc1c(F)c(F)c2c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nnc(Cl)c2c1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 3/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.34
XBP1 P17861 1/20 0.34
AVPR1A P37288 1/20 0.33
MAT2A P31153 5/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ADORA2B P29275 3/20 0.32
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
ADORA1 P30542 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
PRMT5 O14744 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
SCHEMBL29947786 1.00 KDM4E (0.42) KDM4EATML3MBTL1MAPK1HTT
SCHEMBL29947873 0.84 KDM4E (0.40) KDM4EATML3MBTL1MAPK1ALDH1A1
SCHEMBL28877272 0.84 KDM4E (0.40) KDM4EATML3MBTL1MAPK1ALDH1A1
SCHEMBL21213713 0.83 KDM4E (0.49) KDM4EATML3MBTL1MAPK1HTT
SCHEMBL28877250 0.78 MAT2A (0.37) KDM4EATML3MBTL1MAPK1ALDH1A1
SCHEMBL29947909 0.78 MAT2A (0.37) KDM4EATML3MBTL1MAPK1ALDH1A1
SCHEMBL28963945 0.78 KDM4E (0.49) KDM4EATML3MBTL1MAPK1HTT
SCHEMBL30180813 0.78 KDM4E (0.49) KDM4EATML3MBTL1MAPK1HTT
SCHEMBL20659815 0.78 L3MBTL1 (0.43) KDM4EATML3MBTL1MAPK1HTT
SCHEMBL21679704 0.74 KDM4E (0.50) KDM4EATML3MBTL1MAPK1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260245-A Iridium metal complex, application thereof and organic electroluminescent device 清华大学 2022-11-01 CN disclosed