SCHEMBL3345168

SCHEMBL3345168

COc1cc(N2CCN(CC=O)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 1/20 0.49
GAA P10253 2/20 0.48
KMT2A Q03164 1/20 0.47
MAPT P10636 7/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.45
SIRT6 Q8N6T7 1/20 0.43
CYP2D6 P10635 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3345838 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL3345297 0.88 MAPT (0.54) ALDH1A1SMN1; SMN2GAAKMT2AMAPT
SCHEMBL311291 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL3345243 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GAAKMT2AMAPT
SCHEMBL22028444 0.82 SIRT6 (0.61) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL22942270 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL311018 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL3346862 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HTTGAAKMT2A
SCHEMBL15994800 0.80 SIRT6 (0.69) ALDH1A1HTTKMT2AMAPTKDM4E
SCHEMBL31458455 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTGAAKMT2A

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-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed