SCHEMBL4604542

SCHEMBL4604542

N#Cc1c(NC(=O)C=Cc2cccc(Cl)c2)sc2c1CCN(C(=O)O)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
POLB P06746 3/20 0.54
GAA P10253 1/20 0.54
TGFBR1 P36897 1/20 0.50
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NR0B1 P51843 1/20 0.46
GRM1 Q13255 5/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3565780 0.90 MEN1 (0.59) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4603315 0.90 GRM1 (0.54) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4603267 0.90 GRM1 (0.54) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4604198 0.89 TGFBR1 (0.58) MEN1KMT2APOLBGAATGFBR1
SCHEMBL13166067 0.88 L3MBTL1 (0.54) MEN1KMT2APOLBGAATGFBR1
SCHEMBL3357995 0.88 L3MBTL1 (0.54) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4604313 0.87 MEN1 (0.63) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4603172 0.86 MEN1 (0.56) MEN1KMT2APOLBGAATGFBR1
SCHEMBL4606164 0.86 MEN1 (0.49) MEN1KMT2APOLBGAATGFBR1

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