SCHEMBL4604556

SCHEMBL4604556

N#Cc1c(NC(=O)C=Cc2cccnc2)sc2c1CCN(C(=O)CNC(=O)O)C2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
GAA P10253 2/20 0.49
POLB P06746 2/20 0.49
GRM1 Q13255 5/20 0.46
TGFBR1 P36897 1/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
STAT3 P40763 3/20 0.43
MAPK10 P53779 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
NR0B1 P51843 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK9 P45984 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
SCHEMBL4621905 0.92 MEN1 (0.47) MEN1KMT2AGAAPOLBGRM1
SCHEMBL13166318 0.90 MEN1 (0.49) MEN1KMT2AGAAPOLBGRM1
SCHEMBL3353217 0.90 MEN1 (0.49) MEN1KMT2AGAAPOLBGRM1
SCHEMBL3570055 0.89 MEN1 (0.51) MEN1KMT2AGAAPOLBGRM1
SCHEMBL3352490 0.89 MEN1 (0.43) MEN1KMT2AGAAPOLBGRM1
SCHEMBL13166323 0.89 MEN1 (0.43) MEN1KMT2AGAAPOLBGRM1
SCHEMBL3352779 0.89 MEN1 (0.52) MEN1KMT2AGAAPOLBGRM1
SCHEMBL3352760 0.89 MEN1 (0.52) MEN1KMT2AGAAPOLBGRM1
SCHEMBL3353901 0.88 MEN1 (0.47) MEN1KMT2AGAAPOLBGRM1
SCHEMBL3353906 0.88 MEN1 (0.47) 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