SCHEMBL9517043

SCHEMBL9517043

CC(C)OCCS(=O)(=O)NC(=O)c1ccc(COC(=O)c2ccccc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 6/20 0.40
GABRA5 P31644 2/20 0.39
PAX8 Q06710 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
GSK3B P49841 1/20 0.37
PKM P14618 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TSHR P16473 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
SCHEMBL9516953 0.89 P4HTM (0.39) P4HTMGABRA5SMN1; SMN2ALDH1A1HTT
SCHEMBL9516209 0.83 P4HTM (0.38) P4HTMGABRA5ALDH1A1GSK3BPKM
SCHEMBL9517223 0.83 P4HTM (0.41) P4HTMGABRA5NPC1RAB9AALDH1A1
SCHEMBL9517975 0.82 P4HTM (0.53) P4HTMSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9517110 0.79 P4HTM (0.61) P4HTMLMNAMEN1KMT2AL3MBTL1
SCHEMBL9516040 0.78 GABRA5 (0.41) P4HTMGABRA5SMN1; SMN2ALDH1A1HTT
SCHEMBL9517942 0.78 P4HTM (0.47) P4HTMGABRA5ALDH1A1LMNAHTT
SCHEMBL9517031 0.77 P4HTM (0.39) P4HTMGABRA5SMN1; SMN2NPC1RAB9A
SCHEMBL9517093 0.76 P4HTM (0.39) P4HTMALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9519173 0.75 P4HTM (0.58) P4HTMHTTGAA

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