SCHEMBL13477405

SCHEMBL13477405

Nc1cccc(CON2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 5/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
APP P05067 3/20 0.40
BACE1 P56817 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.38
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL13140601 0.82 MEN1 (0.52) MEN1KMT2AMAPTGAAATM
SCHEMBL1557163 0.82 MEN1 (0.48) MEN1KMT2AMAPTGAAATM
SCHEMBL6921729 0.82 MEN1 (0.48) MEN1KMT2AMAPTGAAATM
SCHEMBL13140631 0.80 ALDH1A1 (0.43) MEN1KMT2AMAPTGAAATM
SCHEMBL13140550 0.79 MEN1 (0.46) MEN1KMT2AMAPTGAAATM
SCHEMBL1556923 0.77 MAPT (0.52) MEN1KMT2AMAPTGAAATM
SCHEMBL2219482 0.76 ALDH1A1 (0.58) MEN1KMT2AMAPTGAAATM
SCHEMBL4882922 0.76 ALDH1A1 (0.58) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL5558132 0.76 PDE10A (0.50) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL13140535 0.75 MRGPRX4 (0.47) MEN1KMT2AMAPTGAAATM

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-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 EP disclosed