SCHEMBL28877259

SCHEMBL28877259

Fc1c(F)c(F)c2c(-c3scc4ccccc34)nnc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2c1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.34
MAPK14 Q16539 1/20 0.34
HSD11B1 P28845 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
KCNH2 Q12809 1/20 0.32
EIF4E P06730 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TRPV3 Q8NET8 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
SCHEMBL29947822 0.81 ABCC8 (0.44) MPLHSD11B1ABCC8KCNJ11ALOX5AP
SCHEMBL28877271 0.78 ADORA2A (0.42) ABCC8KCNJ11ALOX5APFEN1KCNH2
SCHEMBL28877261 0.77 PDE3B (0.40) MPLABCC8KCNJ11ALOX5APFEN1
SCHEMBL28877253 0.76 KDM4E (0.38) ABCC8KCNJ11ALOX5APFEN1
SCHEMBL28877292 0.74
SCHEMBL28877289 0.71 CYP11B1 (0.39) HSD11B1ABCC8KCNJ11ALOX5APFEN1
SCHEMBL28877266 0.71 CHEK1 (0.31) MAPK14
SCHEMBL28877273 0.70 ABCC8 (0.35) MPLABCC8KCNJ11ALOX5APFEN1
SCHEMBL11976481 0.70 CNR2 (0.46) ABCC8KCNJ11ALOX5APFEN1
SCHEMBL28465389 0.68 ADORA2A (0.45) ABCC8KCNJ11ALOX5APFEN1KCNH2

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