SCHEMBL16360673

SCHEMBL16360673

CN(c1ccc(-c2cccc3c2C2(COc4cc5c(cc42)OCO5)C(=O)N3Cc2ccc(Cl)s2)cn1)C(I)(I)I

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 19/20 0.47
SCN7A Q01118 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL3331899 0.93 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3331538 0.80 SCN9A (0.59) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3332025 0.80 SCN9A (0.52) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2307953 0.77 SCN9A (0.57) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281795 0.77 SCN9A (0.63) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280986 0.77 SCN9A (0.61) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL3330549 0.76 SCN9A (0.48) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL281327 0.75 SCN9A (0.75) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL2311146 0.74 SCN9A (0.54) SCN9ASCN7ASCN5ASCN2ASCN8A
SCHEMBL280898 0.72 SCN9A (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO disclosed