SCHEMBL9515737

SCHEMBL9515737

CCCCCCCCCCCC(=O)OCc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3ccc(OCCCC)cc3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CNR2 P34972 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
TP53 P04637 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TLR2 O60603 1/20 0.41

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
SCHEMBL9519339 1.00 NPC1 (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9518004 0.94 KMT2A (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9517171 0.94 KMT2A (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9516960 0.94 KMT2A (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9516967 0.94 KMT2A (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9517205 0.92 PPARA (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9515521 0.92 MAPT (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9515816 0.92 PPARA (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9517289 0.92 MAPT (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9515699 0.92 PPARA (0.46) NPC1RAB9AMEN1KMT2AMAPT

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