SCHEMBL4697978

SCHEMBL4697978

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.52
KMT2A Q03164 9/20 0.52
ALDH1A1 P00352 8/20 0.51
MAPT P10636 5/20 0.51
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 4/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 3/20 0.49
BLM P54132 1/20 0.49
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MAPK10 P53779 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
NPC1 O15118 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.45
TNNI3 P19429 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
SCHEMBL4693140 0.92 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2643916 0.88 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2644393 0.85 L3MBTL1 (0.67) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4697974 0.84 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4695165 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2645292 0.82 MAPK10 (0.58) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2643572 0.81 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4696987 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL2644794 0.78 MAPK10 (0.72) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL2644228 0.78 ALDH1A1 (0.72) MEN1KMT2AALDH1A1MAPTKDM4E

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