SCHEMBL14015808

SCHEMBL14015808

CC(C)(C)OC(=O)NC1Cc2ccccc2[C@H]1CSCCO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
ATM Q13315 1/20 0.40
PYGL P06737 5/20 0.40
DRD2 P14416 3/20 0.38
KDM1A O60341 2/20 0.37
MAOB P27338 2/20 0.37
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.35
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
NAMPT P43490 2/20 0.34
KCNA3 P22001 1/20 0.33

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
SCHEMBL14015843 0.94 EPHX2 (0.40) EPHX2ATMPYGLDRD2KDM1A
SCHEMBL13299034 0.85 EPHX2 (0.47) EPHX2ATMPYGLDRD2KDM1A
SCHEMBL13299015 0.85 EPHX2 (0.47) EPHX2ATMPYGLDRD2KDM1A
SCHEMBL4653880 0.84 EPHX2 (0.43) EPHX2ATMPYGLDRD2KDM1A
SCHEMBL4653995 0.83 PYGL (0.48) ATMPYGLKMT2A
SCHEMBL4653994 0.83 PYGL (0.48) ATMPYGLKMT2A
SCHEMBL14143108 0.83 ATM (0.47) EPHX2ATMDRD2KDM1AMAOB
SCHEMBL3328981 0.80 PYGL (0.49) EPHX2ATMPYGLDRD2KDM1A
SCHEMBL13299051 0.79 EPHX2 (0.44) EPHX2ATMPYGLDRD2KDM1A
SCHEMBL8652209 0.79 KMT2A (0.46) EPHX2ATMDRD2KDM1AMAOB

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-1658067-B1 INDOLAMIDE DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2008-11-12 EP disclosed