SCHEMBL6571237

SCHEMBL6571237

Cc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1NC(=O)[C@@](C)(O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.58
ABCC8 Q09428 6/20 0.58
KCNJ11 Q14654 6/20 0.58
KCNJ8 Q15842 6/20 0.58
NR1H2 P55055 4/20 0.57
NR1H3 Q13133 3/20 0.57
PDK1 Q15118 9/20 0.56
PDK2 Q15119 9/20 0.56
PDK3 Q15120 9/20 0.56
PDK4 Q16654 9/20 0.56
PTGES2 Q9H7Z7 1/20 0.55

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
SCHEMBL27529485 1.00 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8NR1H2
SCHEMBL6571287 0.91 NR1H2 (0.64) ABCC9ABCC8KCNJ11KCNJ8NR1H2
SCHEMBL6570103 0.88 PDK1 (0.55) ABCC9ABCC8KCNJ11KCNJ8NR1H2
SCHEMBL27556795 0.87 PTGES2 (0.60) ABCC9ABCC8KCNJ11KCNJ8NR1H2
SCHEMBL6568385 0.87 PTGES2 (0.60) ABCC9ABCC8KCNJ11KCNJ8NR1H2
SCHEMBL27556804 0.87 PDK1 (0.54) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6571339 0.87 PDK1 (0.54) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6570953 0.86 ABCC9 (0.64) ABCC9ABCC8KCNJ11KCNJ8NR1H2
SCHEMBL6569737 0.82 PDK1 (0.57) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6569735 0.82 PDK1 (0.57) ABCC9ABCC8KCNJ11KCNJ8PDK1

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 2 patents. 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
CN-1303281-A Application of compound in enhancing activity of pyruvate dehydrogenase ASTRA ZENECA LTD (SE) 2001-07-11 CN disclosed