SCHEMBL9516012

SCHEMBL9516012

CCOCc1ccc(C(=O)NS(=O)(=O)CC(O)c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
SCN9A Q15858 5/20 0.37
POLB P06746 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
GAA P10253 1/20 0.36
SCN5A Q14524 4/20 0.36
KCNH2 Q12809 3/20 0.36
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
PDE2A O00408 1/20 0.35
DEGS1 O15121 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
P4HTM Q9NXG6 1/20 0.34

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
SCHEMBL9517230 0.90 HSD11B1 (0.39) HSD11B1HIF1AEPAS1POLBTRPM8
SCHEMBL9517911 0.89 CXCR1 (0.37) HDAC3HDAC1HDAC2HDAC6P4HTM
SCHEMBL9519398 0.89 SCD (0.41) SCN9AHDAC3HDAC1HDAC2HDAC6
SCHEMBL9516093 0.88 HSD11B1 (0.43) HSD11B1HIF1AEPAS1SCN9ATRPM8
SCHEMBL9517939 0.87 EGFR (0.40) SCN9ASCN5AP4HTM
SCHEMBL9515773 0.86 HSD11B1 (0.43) HSD11B1HIF1AEPAS1TRPM8HDAC3
SCHEMBL9515466 0.85 SMN1; SMN2 (0.38) GAA
SCHEMBL9516010 0.83 TRPM8 (0.38) HIF1AEPAS1SCN9APOLBTRPM8
SCHEMBL9516994 0.83 SCN9A (0.38) SCN9ASCN5AHDAC6P4HTM
SCHEMBL9516266 0.82 GRM5 (0.38) SCN9ASCN5AKCNH2HDAC6P4HTM

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