SCHEMBL29947909

SCHEMBL29947909

Fc1c(F)c(F)c2c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nnc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.37
KIF11 P52732 1/20 0.36
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
GRM2 Q14416 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL28877250 1.00 MAT2A (0.37) MAT2AKIF11ATMKDM4EL3MBTL1
SCHEMBL28877271 0.80 ADORA2A (0.42) KIF11NPSR1ALOX5APFEN1MEN1
SCHEMBL29947786 0.78 KDM4E (0.42) MAT2AATMKDM4EL3MBTL1ALDH1A1
SCHEMBL28877240 0.78 KDM4E (0.42) MAT2AATMKDM4EL3MBTL1ALDH1A1
SCHEMBL21757940 0.77 KIF11 (0.42) KIF11ATMKDM4EL3MBTL1GRM2
SCHEMBL29947873 0.77 KDM4E (0.40) ATMKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL28877272 0.77 KDM4E (0.40) ATMKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL17950044 0.76 KIF11 (0.46) MAT2AKIF11ATMKDM4EL3MBTL1
SCHEMBL21131433 0.76 KIF11 (0.42) MAT2AKIF11ALOX5APFEN1PPARG
SCHEMBL29947822 0.76 ABCC8 (0.44) KDM4EALOX5APFEN1GAA

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