SCHEMBL7804491

SCHEMBL7804491

C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)Cl)cc1Cl)C(F)(F)F.C[C@@](O)(C(=O)Nc1ccccc1Cl)C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 17/20 0.72
PDK2 Q15119 17/20 0.72
PDK3 Q15120 17/20 0.72
PDK4 Q16654 17/20 0.72
PTGES2 Q9H7Z7 1/20 0.67
NR1H2 P55055 2/20 0.61
NR1H3 Q13133 2/20 0.61

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
SCHEMBL6349034 0.94 PDK1 (0.81) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL3784169 0.94 PDK1 (0.81) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737699 0.89 PTGES2 (0.81) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL6348877 0.85 PDK1 (1.00) PDK1PDK2PDK3PDK4
SCHEMBL5735974 0.85 PDK1 (1.00) PDK1PDK2PDK3PDK4
SCHEMBL4609853 0.85 PDK1 (0.74) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL4609857 0.85 PDK1 (0.74) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL4608406 0.85 PDK1 (0.74) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL6351516 0.84 PDK1 (1.00) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL6351437 0.84 PDK1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064274-A1 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS AstraZeneca AB (SE) 2001-01-03 EP disclosed
WO-1999047508-A1 BENZENESULFONAMIDE-DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 1999-09-23 WO disclosed