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SCHEMBL6568110

SCHEMBL6568110

CN(C)CCNC(=O)c1ccccc1S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 15/20 0.66
▸ PDK2 Q15119 15/20 0.66
▸ PDK3 Q15120 15/20 0.66
▸ PDK4 Q16654 15/20 0.66
▸ ABCB11 O95342 1/20 0.58
▸ PTGES2 Q9H7Z7 1/20 0.54
▸ NR1H2 P55055 3/20 0.54
▸ NR1H3 Q13133 3/20 0.54

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
SCHEMBL6568166 0.91 ABCB11 (0.67) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6568162 0.91 ABCB11 (0.67) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571193 0.86 PDK1 (0.69) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571249 0.86 PDK1 (0.72) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571222 0.86 PDK1 (0.66) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6352704 0.84 PDK1 (0.67) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6352707 0.84 PDK1 (0.67) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6418091 0.83 PDK1 (0.61) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6418089 0.83 PDK1 (0.61) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571307 0.83 PDK1 (0.64) 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