SCHEMBL5736719

SCHEMBL5736719

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PDK1 Q15118 12/20 0.49
PDK2 Q15119 12/20 0.49
PDK3 Q15120 12/20 0.49
PDK4 Q16654 12/20 0.49
PTGES2 Q9H7Z7 1/20 0.49
ABCC9 O60706 5/20 0.48
ABCC8 Q09428 5/20 0.48
KCNJ11 Q14654 5/20 0.48
KCNJ8 Q15842 5/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 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
SCHEMBL5735151 0.90 ALDH1A1 (0.50) ALDH1A1MAPK1MEN1KMT2APDK1
SCHEMBL5737050 0.89 ABCC9 (0.61) MEN1KMT2APDK1PDK2PDK3
SCHEMBL5737696 0.89 L3MBTL1 (0.55) ALDH1A1MEN1KMT2APDK1PDK2
SCHEMBL5739340 0.89 PDK1 (0.64) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5736812 0.88 PDK1 (0.52) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL27533431 0.87 ABCC9 (0.56) MEN1KMT2APDK1PDK2PDK3
SCHEMBL27533429 0.87 ABCC9 (0.56) MEN1KMT2APDK1PDK2PDK3
SCHEMBL5737469 0.85 PDK1 (0.58) PDK1PDK2PDK3PDK4PTGES2
SCHEMBL5735640 0.83 PTGES2 (0.59) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL5738883 0.82 ABCC9 (0.57) ALDH1A1PDK1PDK2PDK3PDK4

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