SCHEMBL9519306

SCHEMBL9519306

CCOCc1ccc(C(=O)NS(=O)(=O)CC(O)c2ccccc2OCC)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.42
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
AHR P35869 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GABRA5 P31644 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL9516273 0.91 P4HTM (0.41) P4HTMPOLBKDM4EALDH1A1GAA
SCHEMBL9515952 0.90 P4HTM (0.41) P4HTMPOLBKDM4EALDH1A1GAA
SCHEMBL9517212 0.90 P4HTM (0.43) P4HTMPOLBKDM4EALDH1A1GAA
SCHEMBL9519753 0.90 P4HTM (0.40) P4HTMPOLBKDM4EALDH1A1GAA
SCHEMBL9516327 0.84 APLNR (0.39) P4HTMPOLBKDM4EMRGPRX1NPC1
SCHEMBL9517911 0.83 CXCR1 (0.37) P4HTMKMT2AMEN1GABRA5
SCHEMBL9519297 0.82 P4HTM (0.42) P4HTMPOLBKDM4EALDH1A1GAA
SCHEMBL9517939 0.81 EGFR (0.40) P4HTMKDM4ENPC1RAB9A
SCHEMBL9516994 0.80 SCN9A (0.38) P4HTM
SCHEMBL9515946 0.80 P4HTM (0.40) P4HTMPOLBKDM4EALDH1A1GAA

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