SCHEMBL8922804

SCHEMBL8922804

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

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8922266 0.85 TDP1 (0.37) CYP3A4TSHRALDH1A1TDP1
SCHEMBL28408950 0.73 ALDH1A1 (0.37) CYP3A4TSHRALDH1A1TDP1
SCHEMBL21998918 0.72
SCHEMBL2386556 0.71
SCHEMBL193138 0.71 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL23419838 0.71
SCHEMBL5850532 0.70 ALDH1A1 (0.43) ALDH1A1
SCHEMBL23307984 0.70 MEN1 (0.39) TDP1
SCHEMBL29285248 0.70 P2RY14 (0.32)
SCHEMBL8055699 0.69 MEN1 (0.35) TDP1

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