SCHEMBL4394171

SCHEMBL4394171

COc1ccc(CCN2C(=O)C(=Cc3ccc(-c4ccc(C(=O)O)cc4)o3)SC2=S)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
POLB P06746 4/20 0.66
ALDH1A1 P00352 2/20 0.66
MAPT P10636 2/20 0.66
USP2 O75604 1/20 0.66
MAPK1 P28482 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
PTPN7 P35236 2/20 0.56
PTPN12 Q05209 2/20 0.56
PTPN22 Q9Y2R2 2/20 0.56
PKM P14618 2/20 0.56
MCL1 Q07820 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAP3K5 Q99683 2/20 0.56
EP300 Q09472 1/20 0.56
CREBBP Q92793 1/20 0.56
APAF1 O14727 1/20 0.56
CACNA1B Q00975 1/20 0.56

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
SCHEMBL4394189 0.93 MEN1 (0.62) STAT3MEN1KMT2APOLBALDH1A1
SCHEMBL4394192 0.93 MEN1 (0.62) STAT3MEN1KMT2APOLBALDH1A1
SCHEMBL13592708 0.93 MEN1 (0.62) STAT3MEN1KMT2APOLBALDH1A1
SCHEMBL4396750 0.87 EP300 (0.73) STAT3MEN1KMT2APOLBALDH1A1
SCHEMBL4396439 0.87 EP300 (0.73) STAT3MEN1KMT2APOLBALDH1A1
SCHEMBL14045885 0.87 MEN1 (0.63) STAT3MEN1KMT2APOLBALDH1A1
SCHEMBL14025843 0.87 EP300 (0.73) STAT3MEN1KMT2APOLBALDH1A1
SCHEMBL4882130 0.85 EP300 (0.75) STAT3MEN1KMT2APOLBALDH1A1
SCHEMBL4882126 0.85 EP300 (0.75) STAT3MEN1KMT2APOLBALDH1A1
SCHEMBL4887861 0.85 STAT3 (0.68) STAT3MEN1KMT2APOLBALDH1A1

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-1830848-B1 USE OF THIAZOLIDINONE DERIVATIVES FOR THE TREATMENT OF SOLID TUMORS CELL THERAPEUTICS EUROPE SRL (IT) 2009-12-16 EP claimed