SCHEMBL483722

SCHEMBL483722

CC1(C)Cc2cc3c(cc2O1)OCC31C(=O)N(C(C(N)=O)c2ccccc2F)c2cccc(Br)c21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
JAK2 O60674 1/20 0.30
TYK2 P29597 1/20 0.30

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
SCHEMBL280946 0.80 SCN9A (0.34) SCN9AIRAK4
SCHEMBL280671 0.77 POLB (0.44) SCN9AALDH1A1
SCHEMBL282084 0.76 SCN9A (0.37) SCN9AALDH1A1
SCHEMBL328298 0.72 ALDH1A1 (0.41) SCN9AKDM4EALDH1A1HSD17B10
SCHEMBL281527 0.69 SCN9A (0.47) SCN9A
SCHEMBL280729 0.69 SCN9A (0.35) SCN9AALDH1A1
SCHEMBL281207 0.65 POLB (0.40) SCN9AIRAK4ALDH1A1
SCHEMBL280951 0.65 POLB (0.44) SCN9AALDH1A1HSD17B10
SCHEMBL2305420 0.65 SCN9A (0.40) SCN9AALDH1A1
SCHEMBL280856 0.63 SCN9A (0.50) SCN9A

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-1888595-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-02-01 EP disclosed