SCHEMBL10289271

SCHEMBL10289271

CCCCN1C(=O)C2(COc3cc(O)c(O)cc32)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.72
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL328251 0.93 SCN9A (0.66) SCN9AALDH1A1
SCHEMBL328294 0.92 SCN9A (0.65) SCN9A
SCHEMBL328268 0.90 SCN9A (0.61) SCN9A
SCHEMBL328160 0.89 SCN9A (0.60) SCN9A
SCHEMBL281851 0.87 SCN9A (0.94) SCN9A
SCHEMBL10289026 0.87 SCN9A (0.60) SCN9A
SCHEMBL10289199 0.86 SCN9A (0.58) SCN9AALDH1A1
SCHEMBL10289188 0.85 SCN9A (0.55) SCN9A
SCHEMBL280737 0.84 SCN9A (0.77) SCN9AKDM4EMEN1ALDH1A1GAA
SCHEMBL2308466 0.84 SCN9A (0.88) 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