SCHEMBL9519398

SCHEMBL9519398

CCOCc1ccc(C(=O)NS(=O)(=O)CC(O)c2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.41
PNMT P11086 1/20 0.39
HDAC1 Q13547 13/20 0.38
HDAC6 Q9UBN7 13/20 0.38
HDAC5 Q9UQL6 12/20 0.38
HDAC8 Q9BY41 8/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
SCN9A Q15858 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL9519641 0.90 SCD (0.41) SCDPNMTHDAC1HDAC6HDAC5
SCHEMBL9517170 0.90 HDAC1 (0.39) SCDPNMTHDAC1HDAC6HDAC5
SCHEMBL9516012 0.89 HSD11B1 (0.39) HDAC1HDAC6HDAC3HDAC2SCN9A
SCHEMBL9516266 0.88 GRM5 (0.38) HDAC6SCN9A
SCHEMBL9517180 0.87 PNMT (0.44) SCDPNMTHDAC1HDAC6HDAC5
SCHEMBL9519391 0.84 HDAC6 (0.38) SCDHDAC1HDAC6HDAC5HDAC8
SCHEMBL9517911 0.82 CXCR1 (0.37) HDAC1HDAC6HDAC3HDAC2
SCHEMBL9516994 0.82 SCN9A (0.38) HDAC6SCN9A
SCHEMBL9517939 0.81 EGFR (0.40) SCN9A
SCHEMBL9516093 0.80 HSD11B1 (0.43) HDAC1HDAC6HDAC3HDAC2SCN9A

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-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed