SCHEMBL4603556

SCHEMBL4603556

CC(C)Oc1ccccc1C=CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
TGFBR1 P36897 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 1/20 0.46
BLM P54132 1/20 0.46
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GRM1 Q13255 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
STAT3 P40763 1/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL4622148 0.92 MEN1 (0.51) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL4603914 0.91 TGFBR1 (0.58) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL13166196 0.91 MEN1 (0.54) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL3348109 0.91 MEN1 (0.54) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL4604958 0.89 MEN1 (0.53) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL3569959 0.89 MEN1 (0.53) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL4617172 0.88 MEN1 (0.52) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL4607134 0.88 MEN1 (0.52) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL4605090 0.87 MEN1 (0.58) MEN1KMT2AGAAPOLBALDH1A1
SCHEMBL4618737 0.87 MEN1 (0.51) MEN1KMT2AGAAPOLBALDH1A1

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