SCHEMBL8099435

SCHEMBL8099435

CCCCS(=O)(=O)NC(=O)c1cnc(OC(=O)NCC(=O)OCC)c(OCCC(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.36
PPARG P37231 12/20 0.36
SCN9A Q15858 3/20 0.33
SCN5A Q14524 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9233299 0.91 GABRA5 (0.37) GABRA5PPARGSCN9ASCN5A
SCHEMBL8874638 0.88 GABRA5 (0.38) GABRA5PPARGSMN1; SMN2ALDH1A1LMNA
SCHEMBL8090622 0.88 SMN1; SMN2 (0.39) GABRA5PPARGSCN9ASCN5ASMN1; SMN2
SCHEMBL8105616 0.84 PPARG (0.40) PPARGSCN9ASCN5ASMN1; SMN2
SCHEMBL8099518 0.84 PPARG (0.40) PPARGSCN9ASCN5ASMN1; SMN2
SCHEMBL8098997 0.80 PPARG (0.45) PPARG
SCHEMBL8916805 0.78 GABRA5 (0.39) GABRA5PPARGSMN1; SMN2ALDH1A1
SCHEMBL8767779 0.78 GABRA5 (0.39) GABRA5PPARGSCN9ASCN5A
SCHEMBL8874498 0.77 SMN1; SMN2 (0.44) GABRA5SCN9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL8767147 0.74 MGLL (0.39) PPARGSCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673932-B1 Sulfonamidocarbonyl-pyridine-2-carboxamides as well as their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AG (DE) 2000-06-07 EP disclosed
EP-0673932-A1 Sulfonamidocarbonyl-pyridine-2-carboxamides as well as their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed