SCHEMBL5736655

SCHEMBL5736655

CC(C)(O)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(I)cc2Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 17/20 0.61
PDK2 Q15119 17/20 0.61
PDK3 Q15120 17/20 0.61
PDK4 Q16654 17/20 0.61
PTGES2 Q9H7Z7 1/20 0.54
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL5737321 0.91 PDK1 (0.57) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737078 0.89 PTGES2 (0.70) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5736543 0.87 PTGES2 (0.64) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737817 0.86 PDK1 (0.60) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737821 0.82 PDK1 (0.70) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5735090 0.82 HTT (0.69) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737946 0.82 PDK1 (0.66) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5736877 0.82 PTGES2 (0.66) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5744026 0.81 PDK1 (0.59) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5735732 0.81 PDK1 (0.68) 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