SCHEMBL4607134

SCHEMBL4607134

CCCOc1ccccc1C=CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)O)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
GAA P10253 3/20 0.52
POLB P06746 1/20 0.52
TGFBR1 P36897 2/20 0.47
GRM1 Q13255 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
STAT3 P40763 1/20 0.44
MAPK10 P53779 1/20 0.44

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
SCHEMBL3569959 0.94 MEN1 (0.53) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL4605916 0.93 MEN1 (0.53) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL13166198 0.92 L3MBTL1 (0.53) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL3350269 0.92 L3MBTL1 (0.53) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL4603914 0.90 TGFBR1 (0.58) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL4604958 0.89 MEN1 (0.53) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL4603646 0.88 MEN1 (0.51) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL4603556 0.88 MEN1 (0.51) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL4617172 0.88 MEN1 (0.52) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL4607475 0.88 MEN1 (0.56) MEN1KMT2AGAAPOLBTGFBR1

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
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP claimed