SCHEMBL4603429

SCHEMBL4603429

COc1ccc(C=CC(=O)Nc2sc3c(c2C#N)CCN(C(=O)O)C3)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 1/20 0.62
TGFBR1 P36897 3/20 0.55
STAT3 P40763 1/20 0.55
TP53 P04637 2/20 0.52
GRM5 P41594 3/20 0.51
FLT3 P36888 1/20 0.51
POLB P06746 2/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL14141142 1.00 MAPT (0.62) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4605058 0.91 TGFBR1 (0.53) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4606194 0.90 TGFBR1 (0.58) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL13166071 0.90 MAPT (0.59) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4604313 0.90 MEN1 (0.63) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3354342 0.90 MAPT (0.59) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4606456 0.89 TGFBR1 (0.70) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL3565780 0.89 MEN1 (0.59) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4604442 0.88 TGFBR1 (0.58) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4604198 0.88 TGFBR1 (0.58) MAPTMEN1KMT2AALDH1A1KDM4E

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