SCHEMBL9517170

SCHEMBL9517170

O=C(NS(=O)(=O)CC(O)c1cccc(C(F)(F)F)c1)c1ccc(COCc2ccccc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
VNN1 O95497 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
SLC6A9 P48067 1/20 0.38
PNMT P11086 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
SCD O00767 1/20 0.38
NR4A2 P43354 1/20 0.38
ACP3 P15309 1/20 0.38
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
MAPK14 Q16539 1/20 0.37
PPARG P37231 2/20 0.37
BCHE P06276 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL9516093 0.91 HSD11B1 (0.43) HDAC1HDAC6HDAC3HDAC2P4HTM
SCHEMBL9519398 0.90 SCD (0.41) HDAC1HDAC6HDAC3HDAC2HDAC5
SCHEMBL9519641 0.87 SCD (0.41) HDAC1HDAC6HDAC3HDAC2HDAC5
SCHEMBL9517180 0.86 PNMT (0.44) HDAC1HDAC6HDAC3HDAC2HDAC5
SCHEMBL9517165 0.84 VNN1 (0.40) HDAC1HDAC6HDAC3HDAC2VNN1
SCHEMBL9519638 0.83 BCL2L1 (0.42) HDAC1HDAC6P4HTMBCL2L1MCL1
SCHEMBL9515738 0.82 P4HTM (0.43) HDAC6P4HTMSLC6A9BCL2L1MCL1
SCHEMBL9516012 0.79 HSD11B1 (0.39) HDAC1HDAC6HDAC3HDAC2P4HTM
SCHEMBL9566750 0.78 MEN1 (0.54) MRGPRX4
SCHEMBL9516266 0.78 GRM5 (0.38) HDAC6P4HTMSLC6A9

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