SCHEMBL9515952

SCHEMBL9515952

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.41
GABRA5 P31644 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PPARG P37231 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
AHR P35869 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL9519306 0.90 P4HTM (0.42) P4HTMGABRA5POLBKDM4EALDH1A1
SCHEMBL9515444 0.86 P4HTM (0.41) P4HTMGABRA5POLBKDM4EPPARG
SCHEMBL9516273 0.82 P4HTM (0.41) P4HTMGABRA5POLBKDM4EALDH1A1
SCHEMBL9519297 0.81 P4HTM (0.42) P4HTMPOLBKDM4EALDH1A1GAA
SCHEMBL9517212 0.81 P4HTM (0.43) P4HTMPOLBKDM4EALDH1A1GAA
SCHEMBL9519753 0.80 P4HTM (0.40) P4HTMGABRA5POLBKDM4EPPARG
SCHEMBL9517219 0.80 GABRA5 (0.38) GABRA5PPARGALDH1A1GAAKMT2A
SCHEMBL9517019 0.79 GABRA5 (0.40) P4HTMGABRA5NPC1RAB9A
SCHEMBL9515946 0.79 P4HTM (0.40) P4HTMPOLBKDM4EALDH1A1GAA
SCHEMBL9516888 0.78 GABRA5 (0.50) P4HTMGABRA5KDM4EPPARGALDH1A1

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