SCHEMBL8922266

SCHEMBL8922266

N#CCCOP(=S)(OCCC#N)OCCC#N

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LOX P28300 1/20 0.30
LOXL3 P58215 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL8922804 0.85 CYP3A4 (0.31) TDP1ALDH1A1CYP3A4TSHR
SCHEMBL21998918 0.80
SCHEMBL2386556 0.79
SCHEMBL193138 0.79 ALDH1A1 (0.33) TDP1ALDH1A1
SCHEMBL23419838 0.79
SCHEMBL23307984 0.77 MEN1 (0.39) TDP1MEN1KMT2A
SCHEMBL733409 0.72 ALDH1A1 (0.43) TDP1ALDH1A1LOXLOXL3LOXL2
SCHEMBL29285237 0.70
SCHEMBL23772196 0.69
SCHEMBL22652 0.69

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
US-5644048-A Process for preparing phosphorothioate oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 1997-07-01 US disclosed
WO-1994019363-A1 PROCESS FOR PREPARING PHOSPHOROTHIOATE OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1994-09-01 WO disclosed
US-5210264-A S-(2,4-dichlorobenzyl)-β-cyanoethyl phosphorothioate diester ISIS PHARMACEUTICALS, INC. (US) 1993-05-11 US disclosed