SCHEMBL28877253

SCHEMBL28877253

Fc1c(F)c(F)c2c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nnc(-c3cccs3)c2c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
MAPT P10636 4/20 0.35
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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 0.85 ABCC8 (0.44) KDM4EABCC8KCNJ11GAAALOX5AP
SCHEMBL29350079 0.82 KDM4E (0.35) KDM4ETDP1KMT2AMEN1SMN1; SMN2
SCHEMBL28877273 0.81 ABCC8 (0.35) ABCC8KCNJ11ALOX5APFEN1
SCHEMBL29350969 0.81 KDM4E (0.36) KDM4ETDP1KMT2AMEN1SMN1; SMN2
SCHEMBL28877271 0.80 ADORA2A (0.42) TDP1KMT2AMEN1ABCC8KCNJ11
SCHEMBL29349663 0.80 KDM4E (0.35) KDM4ETDP1KMT2AMEN1SMN1; SMN2
SCHEMBL28877261 0.79 PDE3B (0.40) ABCC8KCNJ11ALOX5APFEN1
SCHEMBL28020018 0.78 ERN1 (0.41) KDM4ETDP1KMT2AMEN1SMN1; SMN2
SCHEMBL29947834 0.78 RPS6KB2 (0.43) KDM4ETDP1KMT2AMEN1SMN1; SMN2
SCHEMBL28877299 0.76 SMN1; SMN2 (0.37) KDM4ETDP1KMT2AMEN1SMN1; SMN2

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