SCHEMBL4603323

SCHEMBL4603323

COc1cccc(OC)c1C=CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)O)C2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TGFBR1 P36897 3/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 4/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 2/20 0.47
STAT3 P40763 2/20 0.47
GRM1 Q13255 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
NR0B1 P51843 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4603914 0.90 TGFBR1 (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4603728 0.90 MAPT (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13166215 0.90 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3353493 0.90 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4605117 0.87 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4603172 0.86 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4604563 0.86 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4604313 0.85 MEN1 (0.63) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4603432 0.85 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4603429 0.85 MAPT (0.62) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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