SCHEMBL5738883

SCHEMBL5738883

C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1F)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.57
ABCC8 Q09428 5/20 0.57
KCNJ11 Q14654 5/20 0.57
KCNJ8 Q15842 5/20 0.57
PTGES2 Q9H7Z7 1/20 0.52
PDK1 Q15118 12/20 0.51
PDK2 Q15119 12/20 0.51
PDK3 Q15120 12/20 0.51
PDK4 Q16654 12/20 0.51
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ESR1 P03372 1/20 0.47

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
SCHEMBL5737462 0.91 ABCC9 (0.56) ABCC9ABCC8KCNJ11KCNJ8PTGES2
SCHEMBL5738526 0.90 PDK1 (0.58) ABCC9ABCC8KCNJ11KCNJ8PTGES2
SCHEMBL5737050 0.88 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8PTGES2
SCHEMBL5736511 0.88 PDK1 (0.62) ABCC9ABCC8KCNJ11KCNJ8PTGES2
SCHEMBL5737696 0.88 L3MBTL1 (0.55) ABCC9ABCC8KCNJ11KCNJ8PTGES2
SCHEMBL5736812 0.85 PDK1 (0.52) ABCC9ABCC8KCNJ11KCNJ8PTGES2
SCHEMBL5737269 0.84 PDK1 (0.68) ABCC9ABCC8KCNJ11KCNJ8PTGES2
SCHEMBL5737236 0.82 PDK1 (0.67) ABCC9ABCC8KCNJ11KCNJ8PTGES2
SCHEMBL5736719 0.82 ALDH1A1 (0.50) ABCC9ABCC8KCNJ11KCNJ8PTGES2
SCHEMBL5737469 0.82 PDK1 (0.58) ABCC9ABCC8KCNJ11KCNJ8PTGES2

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