SCHEMBL4729265

SCHEMBL4729265

S=C1N(Cc2cccs2)c2ccccc2C12COc1cc3c(cc12)OCO3

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.52
SCN7A Q01118 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL281741 0.88 SCN9A (0.64) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4729017 0.81 SCN9A (0.54) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4733652 0.79 SCN9A (0.59) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL328213 0.79 SCN9A (0.54) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4728782 0.78 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
Hydrochloric Acid SCHEMBL281149 0.78 SCN9A (0.54) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL4730724 0.77 SCN9A (0.81) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281116 0.75 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL282050 0.75 SCN9A (0.52) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280822 0.75 SCN9A (0.52) 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