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Sugi Predict / Compounds / SCHEMBL4610786

SCHEMBL4610786

SCHEMBL4610786

Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@@](C)(O)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 7/20 0.65
▸ ABCC8 Q09428 7/20 0.65
▸ KCNJ11 Q14654 7/20 0.65
▸ KCNJ8 Q15842 7/20 0.65
▸ PDK1 Q15118 13/20 0.63
▸ PDK2 Q15119 13/20 0.63
▸ PDK3 Q15120 13/20 0.63
▸ PDK4 Q16654 13/20 0.63

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
SCHEMBL4610791 1.00 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4608790 0.88 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4608794 0.88 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4608056 0.86 PDK1 (0.65) PDK1PDK2PDK3PDK4
SCHEMBL4623438 0.86 PDK1 (0.64) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4623427 0.86 PDK1 (0.64) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL4608061 0.86 PDK1 (0.65) PDK1PDK2PDK3PDK4
SCHEMBL6356074 0.86 PDK1 (0.65) PDK1PDK2PDK3PDK4
SCHEMBL4609784 0.79 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6568156 0.79 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059927-B1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 — — EP disclosed