Sugi Predict

Sugi Predict / Compounds / SCHEMBL6571193

SCHEMBL6571193

SCHEMBL6571193

CN(C)CCNc1ccccc1S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 14/20 0.69
▸ PDK2 Q15119 14/20 0.69
▸ PDK3 Q15120 14/20 0.69
▸ PDK4 Q16654 14/20 0.69
▸ ABCB11 O95342 1/20 0.63
▸ PTGES2 Q9H7Z7 1/20 0.59
▸ NR1H2 P55055 4/20 0.56
▸ NR1H3 Q13133 4/20 0.56

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
SCHEMBL6358820 0.90 ABCB11 (0.77) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6358824 0.90 ABCB11 (0.77) PDK1PDK2PDK3PDK4ABCB11
Dimethylamine SCHEMBL6571200 0.87 ABCB11 (0.62) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6568110 0.86 PDK1 (0.66) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571087 0.85 PTGES2 (0.70) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571092 0.85 PTGES2 (0.70) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571318 0.84 PDK1 (0.67) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6571325 0.84 PDK1 (0.67) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6569153 0.84 PTGES2 (0.68) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL6569160 0.84 PTGES2 (0.68) 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