SCHEMBL9519641

SCHEMBL9519641

CC(=O)OCc1ccc(C(=O)NS(=O)(=O)CC(O)c2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.41
PNMT P11086 1/20 0.40
HDAC1 Q13547 13/20 0.40
HDAC6 Q9UBN7 13/20 0.40
HDAC5 Q9UQL6 11/20 0.40
HDAC8 Q9BY41 8/20 0.40
HDAC3 O15379 2/20 0.37
HDAC2 Q92769 2/20 0.37
MAOB P27338 1/20 0.37
NAMPT P43490 1/20 0.37
MRGPRX4 Q96LA9 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
SCHEMBL9519398 0.90 SCD (0.41) SCDPNMTHDAC1HDAC6HDAC5
SCHEMBL9517230 0.89 HSD11B1 (0.39) HDAC1HDAC6HDAC5HDAC8HDAC3
SCHEMBL9519649 0.88 GRM5 (0.38) HDAC6MAOB
SCHEMBL9517180 0.88 PNMT (0.44) SCDPNMTHDAC1HDAC6HDAC5
SCHEMBL9517170 0.87 HDAC1 (0.39) SCDPNMTHDAC1HDAC6HDAC5
SCHEMBL9519634 0.84 HDAC1 (0.39) SCDHDAC1HDAC6HDAC5HDAC8
SCHEMBL9515611 0.82 EPHX2 (0.39) HDAC1HDAC6HDAC3HDAC2
SCHEMBL9517321 0.81 SCN9A (0.37) HDAC6
SCHEMBL9517265 0.80 EGFR (0.41) HDAC1HDAC6HDAC8
SCHEMBL9516012 0.79 HSD11B1 (0.39) HDAC1HDAC6HDAC3HDAC2

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