SCHEMBL4603728

SCHEMBL4603728

COc1cccc(C=CC(=O)Nc2sc3c(c2C#N)CCN(C(=O)O)C3)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
TGFBR1 P36897 3/20 0.53
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
KDM4E B2RXH2 4/20 0.49
POLB P06746 4/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 3/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
STAT3 P40763 2/20 0.45
NPC1 O15118 3/20 0.45
GRM1 Q13255 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
NR0B1 P51843 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL4605117 0.94 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2TGFBR1MEN1
SCHEMBL4603432 0.93 ALDH1A1 (0.57) MAPTALDH1A1SMN1; SMN2TGFBR1MEN1
SCHEMBL4603914 0.93 TGFBR1 (0.58) MAPTALDH1A1SMN1; SMN2TGFBR1MEN1
SCHEMBL13166079 0.91 MAPT (0.53) MAPTALDH1A1SMN1; SMN2TGFBR1MEN1
SCHEMBL3349980 0.91 MAPT (0.53) MAPTALDH1A1SMN1; SMN2TGFBR1MEN1
SCHEMBL4603323 0.90 MEN1 (0.54) MAPTALDH1A1SMN1; SMN2TGFBR1MEN1
SCHEMBL13166194 0.87 MAPT (0.53) MAPTALDH1A1SMN1; SMN2TGFBR1MEN1
SCHEMBL3356483 0.87 MAPT (0.53) MAPTALDH1A1SMN1; SMN2TGFBR1MEN1
SCHEMBL4604958 0.86 MEN1 (0.53) MAPTALDH1A1SMN1; SMN2TGFBR1MEN1
SCHEMBL4603107 0.86 TGFBR1 (0.56) MAPTALDH1A1SMN1; SMN2TGFBR1MEN1

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