SCHEMBL3346768

SCHEMBL3346768

COc1c([N+](=O)[O-])ccc(N2CCN(CC=O)CC2)c1F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
MAPT P10636 9/20 0.44
GAA P10253 2/20 0.43
LMNA P02545 3/20 0.40
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.36
GFER P55789 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
SCHEMBL3346195 0.89 MAPT (0.41) ALDH1A1MAPTGAALMNARECQL
SCHEMBL3345903 0.87 MAPT (0.43) ALDH1A1MAPTGAALMNARECQL
SCHEMBL28848356 0.83 SIRT6 (0.53) ALDH1A1MAPTLMNAKDM4ESIRT6
SCHEMBL521624 0.82 MAPT (0.46) ALDH1A1MAPTGAALMNARECQL
SCHEMBL521625 0.82 MAPT (0.46) ALDH1A1MAPTGAALMNARECQL
SCHEMBL3345933 0.81 HTR1A (0.36) ALDH1A1MAPTGAAKDM4EMAPK1
SCHEMBL2209087 0.80 ALDH1A1 (0.47) ALDH1A1MAPTGAALMNARECQL
SCHEMBL521342 0.79 MAPT (0.50) ALDH1A1MAPTGAALMNARECQL
SCHEMBL3315189 0.79 MAPT (0.54) ALDH1A1MAPTGAALMNARECQL
SCHEMBL3345297 0.78 MAPT (0.54) ALDH1A1MAPTGAALMNAMAPK1

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