SCHEMBL6917528

SCHEMBL6917528

Cc1nn(C)c(C)c1NO

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NMT1 P30419 1/20 0.39

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
SCHEMBL762265 0.77 GAA (0.46) GAAKDM4ELMNAHTTALDH1A1
SCHEMBL18904130 0.75 GAA (0.44) GAAKDM4ELMNAHTTALDH1A1
SCHEMBL21650382 0.73 GAA (0.43) GAAKDM4ELMNAHTTALDH1A1
SCHEMBL50204 0.73 GAA (0.61) GAAKDM4ELMNAHTTALDH1A1
SCHEMBL13457835 0.72 GAA (0.46) GAAKDM4ELMNAHTTALDH1A1
SCHEMBL10310296 0.72 GAA (0.50) GAAKDM4ELMNAHTTALDH1A1
SCHEMBL19766578 0.71 GAA (0.42) GAAKDM4ELMNAHTTALDH1A1
SCHEMBL6495036 0.71 GAA (0.46) GAAKDM4ELMNAHTTALDH1A1
SCHEMBL18903854 0.70 GAA (0.44) GAAKDM4ELMNAHTTALDH1A1
SCHEMBL12156243 0.69 GAA (0.56) GAAKDM4ELMNAHTTALDH1A1

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
WO-2011117264-A1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed