Valine

Valine

SCHEMBL4962987

CC(C)[C@H](N)C(=O)O.Cc1cn(CCC(=O)N2CCc3c(sc(NC(=O)CC(C)c4ccccc4)c3C#N)C2)c(C)n1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.47
MAPK9 P45984 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
GRM1 Q13255 7/20 0.41
STAT3 P40763 3/20 0.41
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL3422693 0.95 MEN1 (0.51) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3422697 0.95 MEN1 (0.51) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3423285 0.88 MEN1 (0.53) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3423282 0.88 MEN1 (0.53) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL2961366 0.85 MEN1 (0.53) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL2961370 0.85 MEN1 (0.53) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL13239782 0.85 MAPK10 (0.48) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL2969159 0.84 MAPK10 (0.46) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL2969155 0.84 MAPK10 (0.46) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3420026 0.84 MEN1 (0.49) MAPK10MAPK9MEN1KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896484-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-12 EP disclosed
WO-2006125813-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO disclosed