SCHEMBL5737269

SCHEMBL5737269

C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1F)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 16/20 0.68
PDK2 Q15119 16/20 0.68
PDK3 Q15120 16/20 0.68
PDK4 Q16654 16/20 0.68
PTGES2 Q9H7Z7 1/20 0.63
ABCC9 O60706 3/20 0.57
ABCC8 Q09428 3/20 0.57
KCNJ11 Q14654 3/20 0.57
KCNJ8 Q15842 3/20 0.57

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
SCHEMBL5737767 0.90 PTGES2 (0.66) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5736422 0.89 PTGES2 (0.80) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5735640 0.89 PTGES2 (0.59) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737443 0.88 PDK1 (0.64) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737050 0.84 ABCC9 (0.61) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL4610410 0.84 ABCC9 (0.72) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL6569516 0.84 ABCC9 (0.72) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5738883 0.84 ABCC9 (0.57) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5736812 0.83 PDK1 (0.52) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737462 0.83 ABCC9 (0.56) 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