SCHEMBL5736738

SCHEMBL5736738

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 19/20 1.00
PDK2 Q15119 19/20 1.00
PDK3 Q15120 19/20 1.00
PDK4 Q16654 19/20 1.00
ABCB11 O95342 1/20 0.67

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
SCHEMBL5737383 0.97 PDK1 (0.94) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL5737675 0.94 PDK1 (0.88) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL5737956 0.91 PDK1 (0.90) PDK1PDK2PDK3PDK4ABCB11
SCHEMBL5736313 0.90 PDK1 (0.81) PDK1PDK2PDK3PDK4
SCHEMBL5738144 0.89 PDK1 (0.84) PDK1PDK2PDK3PDK4
SCHEMBL5738439 0.89 PDK1 (0.82) PDK1PDK2PDK3PDK4
SCHEMBL5738674 0.89 PDK1 (0.82) PDK1PDK2PDK3PDK4
SCHEMBL5737585 0.88 PDK1 (0.79) PDK1PDK2PDK3PDK4
SCHEMBL5736144 0.88 PDK1 (0.89) PDK1PDK2PDK3PDK4
SCHEMBL5738899 0.88 PDK1 (0.78) 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