SCHEMBL9233299

SCHEMBL9233299

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.37
PPARG P37231 7/20 0.35
SCN9A Q15858 4/20 0.34
SCN5A Q14524 1/20 0.34
XDH P47989 1/20 0.33
ALOX5 P09917 1/20 0.32
FAAH O00519 1/20 0.32
SMPD1 P17405 2/20 0.32
PTPN1 P18031 1/20 0.31
AGTR2 P50052 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
SCHEMBL8099435 0.91 GABRA5 (0.36) GABRA5PPARGSCN9ASCN5A
SCHEMBL8916805 0.87 GABRA5 (0.39) GABRA5PPARGXDHALOX5SMPD1
SCHEMBL8767779 0.87 GABRA5 (0.39) GABRA5PPARGSCN9ASCN5ASMPD1
SCHEMBL8766955 0.84 MGLL (0.39) PPARGSCN9ASMPD1PTPN1
SCHEMBL8767147 0.84 MGLL (0.39) PPARGSCN9ASMPD1PTPN1
SCHEMBL8874638 0.78 GABRA5 (0.38) GABRA5PPARGSMPD1
SCHEMBL8090622 0.78 SMN1; SMN2 (0.39) GABRA5PPARGSCN9ASCN5A
SCHEMBL8098997 0.75 PPARG (0.45) PPARGSMPD1
SCHEMBL8915506 0.75 EGLN1 (0.43) GABRA5SMPD1
SCHEMBL8099518 0.74 PPARG (0.40) PPARGSCN9ASCN5ASMPD1

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-0673931-A1 Sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-27 EP disclosed