SCHEMBL3345903

SCHEMBL3345903

COc1c([N+](=O)[O-])ccc(N2CCN(CC=O)CC2)c1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.43
ALDH1A1 P00352 9/20 0.43
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.40
SIRT6 Q8N6T7 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37
ALDH1A3 P47895 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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 0.90 MAPT (0.41) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL3346768 0.87 ALDH1A1 (0.44) MAPTALDH1A1LMNAKDM4ERECQL
SCHEMBL3345950 0.83 ALDH1A1 (0.44) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL3347067 0.80 MEN1 (0.35) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL2207788 0.79 MAPT (0.40) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL3309164 0.78 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2RECQL
SCHEMBL3345168 0.76 ALDH1A1 (0.49) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL3345838 0.76 ALDH1A1 (0.48) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL20591963 0.75 ALDH1A1 (0.57) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL15994800 0.75 SIRT6 (0.69) MAPTALDH1A1LMNAKDM4ESIRT6

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