SCHEMBL5735151

SCHEMBL5735151

CSc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
PDK1 Q15118 11/20 0.49
PDK2 Q15119 11/20 0.49
PDK3 Q15120 11/20 0.49
PDK4 Q16654 11/20 0.49
PTGES2 Q9H7Z7 1/20 0.49
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
ABCC9 O60706 6/20 0.47
ABCC8 Q09428 6/20 0.47
KCNJ11 Q14654 6/20 0.47
KCNJ8 Q15842 6/20 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
SCHEMBL5736719 0.90 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPK1PDK1
SCHEMBL5739340 0.89 PDK1 (0.64) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL6569524 0.83 NR1H2 (0.53) MEN1KMT2APDK1PDK2PDK3
SCHEMBL6570953 0.81 ABCC9 (0.64) MEN1KMT2APDK1PDK2PDK3
SCHEMBL5737696 0.79 L3MBTL1 (0.55) ALDH1A1MEN1KMT2APDK1PDK2
SCHEMBL5737922 0.79 PDK1 (0.68) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737050 0.78 ABCC9 (0.61) MEN1KMT2APDK1PDK2PDK3
SCHEMBL5736812 0.78 PDK1 (0.52) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5737838 0.78 PDK1 (0.69) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL13061989 0.77 PTGES2 (0.80) 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