SCHEMBL4605058

SCHEMBL4605058

CCOc1ccc(C=CC(=O)Nc2sc3c(c2C#N)CCN(C(=O)O)C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.53
MAPT P10636 6/20 0.53
THRB P10828 1/20 0.53
TP53 P04637 3/20 0.52
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
STAT3 P40763 1/20 0.46
GRM1 Q13255 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
SCHEMBL3354959 0.92 L3MBTL1 (0.56) TGFBR1MAPTTHRBTP53MEN1
SCHEMBL13166138 0.92 L3MBTL1 (0.56) TGFBR1MAPTTHRBTP53MEN1
SCHEMBL14141142 0.91 MAPT (0.62) TGFBR1MAPTTP53MEN1KMT2A
SCHEMBL4603429 0.91 MAPT (0.62) TGFBR1MAPTTP53MEN1KMT2A
SCHEMBL4606194 0.88 TGFBR1 (0.58) TGFBR1MAPTMEN1KMT2AALDH1A1
SCHEMBL4606456 0.87 TGFBR1 (0.70) TGFBR1MAPTMEN1KMT2AALDH1A1
SCHEMBL3565780 0.86 MEN1 (0.59) TGFBR1MAPTMEN1KMT2AALDH1A1
SCHEMBL4604198 0.86 TGFBR1 (0.58) TGFBR1MAPTMEN1KMT2AALDH1A1
SCHEMBL4604442 0.86 TGFBR1 (0.58) TGFBR1MAPTMEN1KMT2AALDH1A1
SCHEMBL3354342 0.86 MAPT (0.59) TGFBR1MAPTTHRBTP53MEN1

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