SCHEMBL5355822

SCHEMBL5355822

COC(=O)CNC(=C=S)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.36
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
TET2 Q6N021 1/20 0.34
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
CA1 P00915 1/20 0.30
NLRP3 Q96P20 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL2589264 0.80 RECQL (0.46) CA14CA12CA2TET2RECQL
SCHEMBL7023795 0.78 CA14 (0.39) CA14CA12CA2TET2KDM4E
SCHEMBL21070172 0.75 CA14 (0.39) CA14CA12CA2TET2RECQL
SCHEMBL31485763 0.73 CA14 (0.36) CA14CA12CA2GAACA1
SCHEMBL21071237 0.72 KDM4E (0.37) CA14CA12CA2KDM4ECA1
SCHEMBL21070174 0.72 KDM4E (0.37) CA14CA12CA2KDM4ECA1
SCHEMBL1689401 0.70 HDAC6 (0.37) CA14CA12CA2GAACA1
SCHEMBL21071236 0.70 CA12 (0.35) CA14CA12CA2TET2KDM4E
SCHEMBL5352524 0.70 CA14 (0.40) CA14CA12CA2TET2RECQL
SCHEMBL3187773 0.69 HDAC6 (0.36) CA14CA12CA2GAACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223833-B1 Peptide nucleic acid conjugates ISIS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
EP-0804456-B1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 2002-08-21 EP disclosed