SCHEMBL4603793

SCHEMBL4603793

N#Cc1c(NC(=O)C=Cc2ccccc2)sc2c1CCN(C(O)=S)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.58
KMT2A Q03164 10/20 0.58
GAA P10253 4/20 0.58
POLB P06746 2/20 0.58
TGFBR1 P36897 1/20 0.56
GRM1 Q13255 4/20 0.51
ALDH1A1 P00352 7/20 0.49
MAPT P10636 7/20 0.49
KDM4E B2RXH2 4/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 2/20 0.49
BLM P54132 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
NR0B1 P51843 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TNNI3 P19429 1/20 0.48

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
SCHEMBL3565780 0.92 MEN1 (0.59) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL3350983 0.90 MEN1 (0.67) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL3350989 0.90 MEN1 (0.67) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL4603733 0.90 MEN1 (0.50) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL13166251 0.89 MEN1 (0.56) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL4619349 0.89 MEN1 (0.58) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL3351673 0.89 MEN1 (0.58) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL3351679 0.89 MEN1 (0.58) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL4604534 0.88 MEN1 (0.56) MEN1KMT2AGAAPOLBTGFBR1
SCHEMBL4602979 0.87 MEN1 (0.56) MEN1KMT2AGAAPOLBTGFBR1

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