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SCHEMBL6571283

SCHEMBL6571283

CCS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 15/20 0.57
▸ PDK2 Q15119 15/20 0.57
▸ PDK3 Q15120 15/20 0.57
▸ PDK4 Q16654 15/20 0.57
▸ ABCC9 O60706 4/20 0.56
▸ ABCC8 Q09428 4/20 0.56
▸ KCNJ11 Q14654 4/20 0.56
▸ KCNJ8 Q15842 4/20 0.56
▸ KIF11 P52732 1/20 0.52

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
SCHEMBL6571289 1.00 PDK1 (0.57) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6569767 0.93 ABCC9 (0.57) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6569764 0.93 ABCC9 (0.57) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6571285 0.87 PDK1 (0.74) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6571279 0.87 PDK1 (0.74) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6568953 0.86 PDK1 (0.77) PDK1PDK2PDK3PDK4
SCHEMBL6568945 0.86 PDK1 (0.77) PDK1PDK2PDK3PDK4
Dimethylamine SCHEMBL6351668 0.84 PDK1 (0.74) PDK1PDK2PDK3PDK4
SCHEMBL6356247 0.84 ABCC9 (0.70) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6356244 0.84 ABCC9 (0.70) PDK1PDK2PDK3PDK4ABCC9

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
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 — — EP disclosed