SCHEMBL484063

SCHEMBL484063

CCCCCN1C(=O)C(c2cc3ccoc3cc2O)c2c(Br)cccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
CDC25A P30304 2/20 0.39
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
CNR2 P34972 4/20 0.33
CNR1 P21554 1/20 0.33
CYBB P04839 1/20 0.32
ALDH2 P05091 1/20 0.32
ALDH3A1 P30838 1/20 0.32
CES1 P23141 2/20 0.31
PPARG P37231 1/20 0.31
PDF Q9HBH1 1/20 0.31

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
SCHEMBL281923 0.81 SCN9A (0.57) SCN9ACDC25AF2F10PLG
SCHEMBL281609 0.69 SCN9A (0.54) SCN9ACDC25AF2F10PLG
SCHEMBL281760 0.68 SCN9A (0.53) SCN9ACDC25AALDH1A1MEN1KMT2A
SCHEMBL4168033 0.67 SCN9A (0.55) SCN9AALDH1A1MEN1KMT2A
SCHEMBL4608322 0.66 SCN9A (0.40) SCN9ACDC25AF2F10PLG
SCHEMBL281890 0.66 SCN9A (0.55) SCN9ACDC25AF2F10PLG
SCHEMBL281689 0.66 SCN9A (0.55) SCN9ACDC25AF2F10PLG
SCHEMBL281769 0.65 SCN9A (0.75) SCN9ACDC25AALDH1A1MEN1KMT2A
SCHEMBL281914 0.64 SCN9A (0.53) SCN9ACDC25AALDH1A1MEN1KMT2A
SCHEMBL282036 0.64 SCN9A (0.74) SCN9ACDC25AALDH1A1MEN1KMT2A

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