SCHEMBL5509705

SCHEMBL5509705

COc1cc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)OCCc2ccccn2)C3)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.46
GRM1 Q13255 1/20 0.45
STAT3 P40763 2/20 0.44
GRM5 P41594 2/20 0.44
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL3348393 0.94 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3423309 0.91 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3419906 0.91 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3350749 0.90 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3347951 0.89 MAPT (0.48) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3352762 0.88 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3351930 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3423179 0.87 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3423004 0.87 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL3348196 0.86 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTL3MBTL1

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-1851230-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER Nycomed GmbH (DE) 2007-11-07 EP disclosed
WO-2006084904-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-08-17 WO disclosed