SCHEMBL3569675

SCHEMBL3569675

CN(C)CCSC(=O)N1CCc2c(sc(NC(=O)C=Cc3ccccc3)c2C#N)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
GAA P10253 2/20 0.51
POLB P06746 2/20 0.51
MAPK10 P53779 1/20 0.49
TGFBR1 P36897 1/20 0.48
GRM1 Q13255 6/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
NR0B1 P51843 1/20 0.42

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
SCHEMBL13166125 1.00 MEN1 (0.51) MEN1KMT2AGAAPOLBMAPK10
SCHEMBL3352571 0.89 MEN1 (0.55) MEN1KMT2AGAAPOLBMAPK10
SCHEMBL13166096 0.89 MEN1 (0.55) MEN1KMT2AGAAPOLBMAPK10
SCHEMBL13166118 0.89 MEN1 (0.51) MEN1KMT2AGAAPOLBMAPK10
SCHEMBL3347847 0.89 MEN1 (0.51) MEN1KMT2AGAAPOLBMAPK10
SCHEMBL13166223 0.86 MEN1 (0.51) MEN1KMT2AGAAPOLBMAPK10
SCHEMBL3355015 0.86 MEN1 (0.51) MEN1KMT2AGAAPOLBMAPK10
SCHEMBL3357242 0.84 MEN1 (0.50) MEN1KMT2AGAAPOLBMAPK10
SCHEMBL13166226 0.84 MEN1 (0.50) MEN1KMT2AGAAPOLBMAPK10
SCHEMBL3350983 0.84 MEN1 (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803945-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-09-28 US claimed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP claimed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP disclosed
EP-1753512-A2 TETRAHYDROPYRIDOTHIOPHENES Altana Pharma AG (DE) 2007-02-21 EP disclosed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 WO disclosed