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SCHEMBL6570086

SCHEMBL6570086

C=CS(=O)(=O)Nc1ccc(Sc2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 17/20 0.53
▸ PDK2 Q15119 17/20 0.53
▸ PDK3 Q15120 17/20 0.53
▸ PDK4 Q16654 17/20 0.53
▸ ABCB11 O95342 1/20 0.52
▸ NR1H2 P55055 1/20 0.48
▸ NR1H3 Q13133 1/20 0.48
▸ PTGES2 Q9H7Z7 1/20 0.47

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
SCHEMBL6570088 1.00 PDK1 (0.53) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6570032 0.88 PDK1 (0.60) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6570039 0.88 PDK1 (0.60) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571054 0.85 ABCB11 (0.72) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571051 0.85 ABCB11 (0.72) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571315 0.83 PTGES2 (0.58) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571322 0.83 PTGES2 (0.58) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6570960 0.83 PDK1 (0.62) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6570966 0.83 PDK1 (0.62) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6569113 0.81 PDK1 (0.59) PDK1PDK2PDK3PDK4ABCB11

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