SCHEMBL8204396

SCHEMBL8204396

CCOC(=O)C(/C=N\C(S)I)=C/N

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.31
MAPT P10636 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL8198754 0.76 NPSR1 (0.38) NPSR1GLO1ALDH1A1TSHRALOX15
SCHEMBL6531427 0.70 NPSR1 (0.42) NPSR1GLO1ALDH1A1TSHRALOX15
SCHEMBL16410842 0.69 NPSR1 (0.41) NPSR1GLO1ALDH1A1TSHRALOX15
SCHEMBL8156973 0.68 ALDH1A1 (0.38) NPSR1GLO1ALDH1A1TSHR
SCHEMBL10494406 0.67 HCAR2 (0.55) NPSR1GLO1ALDH1A1TSHRALOX15
SCHEMBL10494399 0.67 HCAR2 (0.55) NPSR1GLO1ALDH1A1TSHRALOX15
SCHEMBL8230038 0.67 ALDH1A1 (0.37) NPSR1GLO1ALDH1A1TSHR
SCHEMBL13704003 0.66
SCHEMBL10047861 0.64 ALDH1A1 (0.39) NPSR1GLO1ALDH1A1TSHRALOX15
SCHEMBL1543791 0.63 NPSR1 (0.58) NPSR1GLO1ALDH1A1TSHRALOX15

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-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO disclosed