SCHEMBL4597663

SCHEMBL4597663

O=C(O)c1ccc(CN2C(=O)C(CO)(c3cc4c(cc3O)OCO4)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SCN9A Q15858 12/20 0.52
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.45
USP2 O75604 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4595630 0.91 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASCN9AGAA
SCHEMBL27707822 0.91 SCN9A (0.51) ALDH1A1MEN1KMT2ASCN9AGAA
SCHEMBL281589 0.89 SCN9A (0.50) ALDH1A1MEN1KMT2ASCN9AGAA
SCHEMBL4597085 0.86 SCN9A (0.48) ALDH1A1MEN1KMT2ASCN9AGAA
SCHEMBL3007855 0.84 SCN9A (0.52) ALDH1A1MEN1KMT2ASCN9AGAA
SCHEMBL1612150 0.84 SCN9A (0.56) ALDH1A1MEN1KMT2ASCN9A
SCHEMBL27707824 0.84 SCN9A (0.49) ALDH1A1MEN1KMT2ASCN9AGAA
SCHEMBL281721 0.82 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASCN9AGAA
SCHEMBL4939376 0.82 SCN9A (0.47) ALDH1A1MEN1KMT2ASCN9AGAA
SCHEMBL4557308 0.81 SCN9A (0.47) ALDH1A1MEN1KMT2ASCN9AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP claimed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO claimed
WO-2008046083-A2 USE OF OXINDOLE COMPOUNDS AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed