SCHEMBL9515740

SCHEMBL9515740

CCCCCCCCCCCCCCCCCC(=O)OCc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
MCHR1 Q99705 1/20 0.42
OPRK1 P41145 1/20 0.41
PPARA Q07869 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 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
SCHEMBL9517095 1.00 RAB9A (0.48) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9517102 0.99 NPC1 (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9515737 0.92 NPC1 (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9519339 0.92 NPC1 (0.49) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9515699 0.92 PPARA (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9515816 0.92 PPARA (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9517289 0.92 MAPT (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9517205 0.92 PPARA (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9515521 0.92 MAPT (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9516911 0.92 MAPT (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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