SCHEMBL3345838

SCHEMBL3345838

COc1cc([N+](=O)[O-])c(OC)cc1N1CCN(CC=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
GAA P10253 2/20 0.48
CYP2D6 P10635 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SIRT6 Q8N6T7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 6/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 1/20 0.41

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
SCHEMBL3345168 0.90 ALDH1A1 (0.49) ALDH1A1GAACYP2D6L3MBTL1SIRT6
SCHEMBL3345297 0.90 MAPT (0.54) ALDH1A1GAACYP2D6SMN1; SMN2MAPT
SCHEMBL15994800 0.81 SIRT6 (0.69) ALDH1A1L3MBTL1SIRT6HTTMAPT
SCHEMBL20591963 0.81 ALDH1A1 (0.57) ALDH1A1GAASMN1; SMN2HTTMAPT
SCHEMBL12312120 0.81 SIRT6 (0.64) ALDH1A1GAACYP2D6SIRT6SMN1; SMN2
SCHEMBL3345216 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTMAPTKDM4E
SCHEMBL2205835 0.78 TDP1 (0.49) ALDH1A1GAACYP2D6L3MBTL1SIRT6
SCHEMBL12312118 0.78 HTT (0.61) ALDH1A1GAACYP2D6L3MBTL1SMN1; SMN2
SCHEMBL3346195 0.78 MAPT (0.41) ALDH1A1GAACYP2D6SIRT6SMN1; SMN2
SCHEMBL3320231 0.77 ALDH1A1 (0.57) ALDH1A1GAASIRT6SMN1; SMN2MAPT

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