SCHEMBL4048257

SCHEMBL4048257

CC(CC(=O)Nc1sc2c(c1C#N)CCN(C(=O)O)C2)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
L3MBTL1 Q9Y468 1/20 0.57
GRM1 Q13255 6/20 0.52
MAPK10 P53779 1/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
BLM P54132 1/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL4048261 1.00 MEN1 (0.64) MEN1KMT2AL3MBTL1GRM1MAPK10
SCHEMBL3420028 0.92 MEN1 (0.61) MEN1KMT2AL3MBTL1GRM1MAPK10
SCHEMBL3420023 0.92 MEN1 (0.61) MEN1KMT2AL3MBTL1GRM1MAPK10
SCHEMBL3421125 0.90 MEN1 (0.59) MEN1KMT2AL3MBTL1GRM1MAPK10
SCHEMBL3421708 0.90 MEN1 (0.59) MEN1KMT2AL3MBTL1GRM1MAPK10
SCHEMBL3421711 0.90 MEN1 (0.59) MEN1KMT2AL3MBTL1GRM1MAPK10
SCHEMBL3419063 0.90 L3MBTL1 (0.62) MEN1KMT2AL3MBTL1GRM1ALDH1A1
SCHEMBL2894215 0.90 MEN1 (0.59) MEN1KMT2AL3MBTL1GRM1MAPK10
SCHEMBL3419067 0.90 L3MBTL1 (0.62) MEN1KMT2AL3MBTL1GRM1ALDH1A1
SCHEMBL3421121 0.90 MEN1 (0.59) MEN1KMT2AL3MBTL1GRM1MAPK10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051983-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2009-04-29 EP claimed
WO-2008020024-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2008-02-21 WO claimed
EP-2051983-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2009-04-29 EP disclosed
WO-2008020024-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2008-02-21 WO disclosed