SCHEMBL4729017

SCHEMBL4729017

S=C1N(Cc2ccco2)c2ccccc2C12COc1cc3c(cc12)OCO3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.54
SCN7A Q01118 1/20 0.54
SCN5A Q14524 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN8A Q9UQD0 1/20 0.54
SCN10A Q9Y5Y9 1/20 0.54
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL282058 0.88 SCN9A (0.68) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4733652 0.83 SCN9A (0.59) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4730724 0.81 SCN9A (0.81) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4729265 0.81 SCN9A (0.52) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280707 0.77 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281683 0.77 SCN9A (0.67) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281383 0.76 SCN9A (0.53) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL10289100 0.76 SCN9A (0.53) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281272 0.75 SCN9A (0.60) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281398 0.75 SCN9A (0.55) SCN9ASCN7ASCN5ASCN2ASCN8A

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
WO-2008046087-A2 SPIRO COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO claimed
WO-2008046087-A2 SPIRO COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed