SCHEMBL9519634

SCHEMBL9519634

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.39
HDAC6 Q9UBN7 12/20 0.39
HDAC5 Q9UQL6 11/20 0.39
HDAC8 Q9BY41 8/20 0.39
CASP3 P42574 3/20 0.37
SCD O00767 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
MAOB P27338 1/20 0.36
NAMPT P43490 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL9519391 0.90 HDAC6 (0.38) HDAC1HDAC6HDAC5HDAC8CASP3
SCHEMBL9517222 0.89 TRPM8 (0.38) HDAC1HDAC6HDAC5HDAC8CASP3
SCHEMBL9519643 0.89 GRM5 (0.39) HDAC6CASP3
SCHEMBL9517174 0.87 HDAC1 (0.39) HDAC1HDAC6HDAC5HDAC8CASP3
SCHEMBL9517165 0.86 VNN1 (0.40) HDAC1HDAC6HDAC5HDAC3HDAC2
SCHEMBL9519641 0.84 SCD (0.41) HDAC1HDAC6HDAC5HDAC8SCD
SCHEMBL9515607 0.83 EPHX2 (0.40) HDAC1HDAC6CASP3HDAC3HDAC2
SCHEMBL9517314 0.82 P4HTM (0.36) HDAC6CASP3
SCHEMBL9517259 0.81 EGFR (0.39) CASP3
SCHEMBL9516010 0.79 TRPM8 (0.38) HDAC1HDAC6HDAC3HDAC2MAOB

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