SCHEMBL4603144

SCHEMBL4603144

COc1ccc(C=CC(=O)Nc2sc3c(c2C#N)CCN(C(=O)O)C3)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.59
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
KDM4E B2RXH2 2/20 0.55
GRM5 P41594 3/20 0.49
STAT3 P40763 1/20 0.49
GRM1 Q13255 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
USP30 Q70CQ3 1/20 0.45
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 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
SCHEMBL3572828 0.91 TGFBR1 (0.56) TGFBR1MEN1KMT2AALDH1A1MAPT
SCHEMBL13166155 0.91 TGFBR1 (0.56) TGFBR1MEN1KMT2AALDH1A1MAPT
SCHEMBL4617947 0.89 TGFBR1 (0.74) TGFBR1MEN1KMT2AALDH1A1MAPT
SCHEMBL4604003 0.88 MEN1 (0.50) TGFBR1MEN1KMT2AALDH1A1MAPT
SCHEMBL14141142 0.87 MAPT (0.62) TGFBR1MEN1KMT2AALDH1A1MAPT
SCHEMBL4603429 0.87 MAPT (0.62) TGFBR1MEN1KMT2AALDH1A1MAPT
SCHEMBL14141064 0.86 MEN1 (0.55) TGFBR1MEN1KMT2AALDH1A1MAPT
SCHEMBL4606103 0.86 MEN1 (0.55) TGFBR1MEN1KMT2AALDH1A1MAPT
SCHEMBL4604313 0.85 MEN1 (0.63) TGFBR1MEN1KMT2AALDH1A1MAPT
SCHEMBL4603171 0.84 MEN1 (0.52) TGFBR1MEN1KMT2AALDH1A1MAPT

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