SCHEMBL9516093

SCHEMBL9516093

O=C(NS(=O)(=O)CC(O)c1ccc(C(F)(F)F)cc1)c1ccc(COCc2ccccc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
P4HTM Q9NXG6 1/20 0.41
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
PTPN1 P18031 1/20 0.38
SCN9A Q15858 3/20 0.37
MTTP P55157 2/20 0.36
CNR2 P34972 1/20 0.36
KCNH2 Q12809 2/20 0.36
SCN5A Q14524 2/20 0.36
AR P10275 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PTGER4 P35408 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 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
SCHEMBL9517170 0.91 HDAC1 (0.39) P4HTMBCL2L1MCL1PPARGHDAC3
SCHEMBL9516012 0.88 HSD11B1 (0.39) HSD11B1P4HTMTRPM8SCN9AKCNH2
SCHEMBL9515738 0.88 P4HTM (0.43) P4HTMBCL2L1MCL1SCN9ASCN5A
SCHEMBL9517230 0.85 HSD11B1 (0.39) HSD11B1P4HTMTRPM8HIF1AEPAS1
SCHEMBL9515773 0.84 HSD11B1 (0.43) HSD11B1P4HTMTRPM8HIF1AEPAS1
SCHEMBL9519638 0.84 BCL2L1 (0.42) P4HTMBCL2L1MCL1HDAC1HDAC6
SCHEMBL9516087 0.83 BCL2L1 (0.38) P4HTMBCL2L1MCL1TRPM8SCN9A
SCHEMBL9519398 0.80 SCD (0.41) SCN9AHDAC3HDAC1HDAC2HDAC6
SCHEMBL9517911 0.78 CXCR1 (0.37) P4HTMHDAC3HDAC1HDAC2HDAC6
SCHEMBL9517093 0.77 P4HTM (0.39) P4HTMBCL2L1MCL1

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