SCHEMBL5737845

SCHEMBL5737845

C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 17/20 0.70
PDK2 Q15119 17/20 0.70
PDK3 Q15120 17/20 0.70
PDK4 Q16654 17/20 0.70
PTGES2 Q9H7Z7 1/20 0.67
ABCB11 O95342 1/20 0.62
ABCC9 O60706 1/20 0.59
ABCC8 Q09428 1/20 0.59
KCNJ11 Q14654 1/20 0.59
KCNJ8 Q15842 1/20 0.59

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
SCHEMBL6568195 0.94 PDK1 (0.65) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737838 0.92 PDK1 (0.69) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5748221 0.91 PTGES2 (0.70) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737922 0.91 PDK1 (0.68) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5735953 0.91 PDK1 (0.79) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5738172 0.91 PDK1 (0.79) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737589 0.91 PDK1 (0.68) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5736892 0.90 PTGES2 (0.74) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5738868 0.90 PDK1 (0.67) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737580 0.90 PDK1 (0.67) PDK1PDK2PDK3PDK4PTGES2

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-1064274-B1 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2006-04-19 EP disclosed