SCHEMBL8869658

SCHEMBL8869658

O=C(NCc1ccccc1)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
P4HTM Q9NXG6 4/20 0.54
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC2 Q92769 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 2/20 0.48
NAMPT P43490 1/20 0.47
HPGDS O60760 2/20 0.47

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
SCHEMBL8869014 0.92 P4HTM (0.54) HTTP4HTMALDH1A1HDAC8HDAC6
SCHEMBL8870098 0.91 RAB9A (0.54) HTTP4HTMALDH1A1GAAHSD17B10
SCHEMBL8870157 0.91 P4HTM (0.52) HTTP4HTMALDH1A1HDAC8HDAC6
SCHEMBL9139389 0.90 P4HTM (0.67) HTTP4HTMALDH1A1GAAHSD17B10
SCHEMBL8869077 0.90 P4HTM (0.51) HTTP4HTMALDH1A1HDAC8HDAC6
SCHEMBL8869181 0.89 P4HTM (0.54) P4HTMALDH1A1GAAHDAC8HDAC6
SCHEMBL8869795 0.87 P4HTM (0.51) HTTP4HTMHSD17B10POLBNAMPT
SCHEMBL8869289 0.87 HTT (0.53) HTTP4HTMALDH1A1GAAHSD17B10
SCHEMBL8869079 0.87 RAB9A (0.53) P4HTMRAB9APOLB
SCHEMBL9137770 0.86 HTT (0.57) HTTP4HTMALDH1A1GAAHSD17B10

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
US-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed