SCHEMBL4603577

SCHEMBL4603577

CN(C)c1ccc(C=CC(=O)Nc2sc3c(c2C#N)CCN(C(=O)O)C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.55
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
POLB P06746 4/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 7/20 0.47
MAPT P10636 6/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK10 P53779 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NR0B1 P51843 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GRM1 Q13255 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL4606194 0.90 TGFBR1 (0.58) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL3355200 0.89 L3MBTL1 (0.55) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL13166087 0.89 L3MBTL1 (0.55) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL4606456 0.89 TGFBR1 (0.70) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL3565780 0.89 MEN1 (0.59) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL4604198 0.88 TGFBR1 (0.58) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL4604442 0.88 TGFBR1 (0.58) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL4603429 0.88 MAPT (0.62) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL14141142 0.88 MAPT (0.62) TGFBR1MEN1KMT2APOLBGAA
SCHEMBL14140959 0.87 MAPT (0.41) TGFBR1MAPTLMNANPC1RAB9A

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