SCHEMBL5737031

SCHEMBL5737031

CSCC[C@H](CO)NS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 18/20 0.61
PDK2 Q15119 18/20 0.61
PDK3 Q15120 18/20 0.61
PDK4 Q16654 18/20 0.61
ABCB11 O95342 1/20 0.55
PTGES2 Q9H7Z7 1/20 0.54

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
SCHEMBL5738441 0.88 PDK1 (0.67) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL5738446 0.88 PDK1 (0.67) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL5737662 0.86 PDK1 (0.70) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL5736842 0.83 PDK1 (0.72) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL5736844 0.83 PDK1 (0.72) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL5737585 0.82 PDK1 (0.79) PDK1PDK2PDK3PDK4
SCHEMBL5738033 0.82 PDK1 (0.70) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL5738034 0.82 PDK1 (0.70) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL5734909 0.81 PDK1 (0.74) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5738020 0.79 PDK1 (0.63) PDK1PDK2PDK3PDK4ABCB11

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