SCHEMBL4693140

SCHEMBL4693140

CC(C)(C)OC(=O)ON1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 9/20 0.46
MAPT P10636 6/20 0.46
GAA P10253 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 3/20 0.46
BLM P54132 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPK10 P53779 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 1/20 0.42
TNNI3 P19429 1/20 0.42

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
SCHEMBL4697974 0.92 MEN1 (0.48) MEN1KMT2ACRHBPCRHR2L3MBTL1
SCHEMBL4697978 0.92 MEN1 (0.52) MEN1KMT2ACRHBPCRHR2L3MBTL1
SCHEMBL4695165 0.91 MEN1 (0.47) MEN1KMT2ACRHBPCRHR2L3MBTL1
SCHEMBL4696987 0.88 MEN1 (0.46) MEN1KMT2ACRHBPCRHR2L3MBTL1
SCHEMBL2643572 0.86 MEN1 (0.56) MEN1KMT2ACRHBPCRHR2L3MBTL1
SCHEMBL2643916 0.82 MEN1 (0.59) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL2644393 0.81 L3MBTL1 (0.67) MEN1KMT2ACRHBPCRHR2L3MBTL1
SCHEMBL2645292 0.78 MAPK10 (0.58) MEN1KMT2ACRHBPCRHR2L3MBTL1
SCHEMBL2644838 0.78 MEN1 (0.55) MEN1KMT2ACRHBPCRHR2L3MBTL1
SCHEMBL2643643 0.77 MEN1 (0.54) MEN1KMT2ACRHBPCRHR2L3MBTL1

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-1620425-B1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-12-24 EP claimed