SCHEMBL4603315

SCHEMBL4603315

Cc1cccc(C=CC(=O)Nc2sc3c(c2C#N)CCN(C(=O)O)C3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.54
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
POLB P06746 3/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
TGFBR1 P36897 1/20 0.50
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.46
NR0B1 P51843 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL4604093 0.90 TGFBR1 (0.55) GRM1MEN1KMT2APOLBGAA
SCHEMBL3565780 0.90 MEN1 (0.59) GRM1MEN1KMT2APOLBGAA
SCHEMBL3357091 0.90 L3MBTL1 (0.55) GRM1MEN1KMT2APOLBGAA
SCHEMBL13166074 0.90 L3MBTL1 (0.55) GRM1MEN1KMT2APOLBGAA
SCHEMBL4604542 0.90 MEN1 (0.54) GRM1MEN1KMT2APOLBGAA
SCHEMBL4603267 0.90 GRM1 (0.54) GRM1MEN1KMT2APOLBGAA
SCHEMBL4606194 0.89 TGFBR1 (0.58) GRM1MEN1KMT2APOLBGAA
SCHEMBL4604313 0.89 MEN1 (0.63) GRM1MEN1KMT2APOLBGAA
SCHEMBL14140954 0.86 MMP1 (0.43) GRM1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4606164 0.86 MEN1 (0.49) GRM1MEN1KMT2APOLBGAA

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