SCHEMBL4607475

SCHEMBL4607475

CCc1ccccc1C=CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)O)C2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
GAA P10253 3/20 0.56
POLB P06746 1/20 0.56
GRM1 Q13255 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MAPT P10636 2/20 0.47
MAPK10 P53779 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
TGFBR1 P36897 2/20 0.46

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
SCHEMBL13166176 0.91 L3MBTL1 (0.56) MEN1KMT2AGAAPOLBGRM1
SCHEMBL3353421 0.91 L3MBTL1 (0.56) MEN1KMT2AGAAPOLBGRM1
SCHEMBL4605090 0.90 MEN1 (0.58) MEN1KMT2AGAAPOLBGRM1
SCHEMBL4605559 0.89 MEN1 (0.55) MEN1KMT2AGAAPOLBGRM1
SCHEMBL4604600 0.88 MEN1 (0.56) MEN1KMT2AGAAPOLBGRM1
SCHEMBL3569959 0.88 MEN1 (0.53) MEN1KMT2AGAAPOLBGRM1
SCHEMBL4618589 0.88 MEN1 (0.57) MEN1KMT2AGAAPOLBGRM1
SCHEMBL14141064 0.88 MEN1 (0.55) MEN1KMT2AGAAPOLBGRM1
SCHEMBL4605032 0.88 MEN1 (0.55) MEN1KMT2AGAAPOLBGRM1
SCHEMBL4606103 0.88 MEN1 (0.55) MEN1KMT2AGAAPOLBGRM1

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