SCHEMBL7417039

SCHEMBL7417039

Cc1noc(C)c1C[CH]CC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 8/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
P2RX7 Q99572 3/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA3 P42263 1/20 0.36

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
SCHEMBL14759859 0.77 P2RX7 (0.48) KMT2AMEN1GAAALDH1A1L3MBTL1
SCHEMBL12500526 0.75 P2RX7 (0.44) KMT2AMEN1GAAALDH1A1L3MBTL1
SCHEMBL5196264 0.72 LMNA (0.42) KMT2AMEN1GAAALDH1A1L3MBTL1
SCHEMBL7382372 0.69 RAF1 (0.34) TDP1
SCHEMBL7414694 0.69 SLC11A2 (0.36) KMT2AMEN1MAPTTDP1
SCHEMBL7412860 0.69 KDM4E (0.42) KMT2AGAAALDH1A1
SCHEMBL314801 0.68 MEN1 (0.45) KMT2AMEN1GAAALDH1A1L3MBTL1
SCHEMBL2172793 0.67 P2RX7 (0.49) KMT2AMEN1GAAALDH1A1L3MBTL1
SCHEMBL2972393 0.67 P2RX7 (0.53) KMT2AMEN1ALDH1A1P2RX7ATM
SCHEMBL10242696 0.67 P2RX7 (0.49) KMT2AMEN1GAAALDH1A1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed