SCHEMBL4605262

SCHEMBL4605262

C=C(C(=O)Nc1sc2c(c1C#N)CCN(C(=O)CCC)C2)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
GAA P10253 4/20 0.51
LMNA P02545 2/20 0.51
MAPK10 P53779 2/20 0.48
MAPK9 P45984 1/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 5/20 0.47
GRM1 Q13255 5/20 0.46
STAT3 P40763 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 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
SCHEMBL3993933 0.90 MAPT (0.64) MAPTGAALMNAMAPK10MAPK9
SCHEMBL3352115 0.89 MEN1 (0.56) MAPTGAALMNAMEN1KMT2A
SCHEMBL3993937 0.82 GRM1 (0.62) MAPK10MAPK9MEN1KMT2AGRM1
SCHEMBL3353901 0.82 MEN1 (0.47) MAPTGAALMNAMAPK10MAPK9
SCHEMBL3353906 0.82 MEN1 (0.47) MAPTGAALMNAMAPK10MAPK9
SCHEMBL13337731 0.81 ALDH1A1 (0.61) MAPTGAALMNAMAPK10MAPK9
SCHEMBL14217569 0.80 MAPT (0.61) MAPTGAALMNAMAPK10MAPK9
SCHEMBL3920972 0.79 MEN1 (0.70) MAPTGAALMNAMAPK10MEN1
SCHEMBL3919729 0.78 ALDH1A1 (0.65) MAPTGAALMNAMEN1KMT2A
SCHEMBL3423881 0.78 MAPT (0.56) MAPTGAALMNAMAPK10MAPK9

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