SCHEMBL7978329

SCHEMBL7978329

N#Cc1ccc(C=CC(O)C2=CC=CCC2=S)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
FBP1 P09467 3/20 0.33
HDAC2 Q92769 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
P4HB P07237 1/20 0.32
GPR183 P32249 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
HTT P42858 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
SCHEMBL24740469 0.69 FBP1 (0.47) FBP1HDAC2ALDH1A1LMNAMAPT
SCHEMBL8098529 0.68 TSHR (0.31)
SCHEMBL9412021 0.65 PGR (0.48) FBP1HDAC2ALDH1A1LMNAMAPT
SCHEMBL9412024 0.65 PGR (0.48) FBP1HDAC2ALDH1A1LMNAMAPT
SCHEMBL10147242 0.65 FBP1 (0.47) MAOBFBP1HDAC2ALDH1A1LMNA
SCHEMBL6960032 0.65
SCHEMBL7978333 0.63 ALDH1A1 (0.39) MAOBFBP1HDAC2ALDH1A1LMNA
SCHEMBL14046550 0.63 FBP1 (0.44) MAOBFBP1HDAC2ALDH1A1LMNA
SCHEMBL1687898 0.62 FBP1 (0.59) FBP1HDAC2ALDH1A1LMNAMAPT
SCHEMBL21574805 0.62 FBP1 (0.59) FBP1HDAC2ALDH1A1LMNAMAPT

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
US-6239280-B1 OXIDATION THE CORRESPONSING THIOIMIDAZOLE COMPOUND MERCK & CO., INC. 2001-05-29 US disclosed