SCHEMBL3352155

SCHEMBL3352155

COc1ccc(N2CC3CN(CC=O)CC(C2)O3)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
LMNA P02545 3/20 0.43
SIRT6 Q8N6T7 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 5/20 0.39
HTT P42858 1/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38

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
SCHEMBL3345809 0.82 ALDH1A1 (0.36) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL3315577 0.81 ALDH1A1 (0.51) ALDH1A1LMNASIRT6KMT2AMEN1
SCHEMBL3345793 0.80 GAK (0.38) ALDH1A1HTTSMN1; SMN2
SCHEMBL3314034 0.77 SIRT6 (0.55) ALDH1A1LMNASIRT6MAPK1MAPT
SCHEMBL30900295 0.76 SIRT6 (0.55) ALDH1A1LMNASIRT6KMT2AMEN1
SCHEMBL3315135 0.75 ALDH1A1 (0.52) ALDH1A1LMNASIRT6KMT2AMAPK1
SCHEMBL4802163 0.73 GHSR (0.52) ALDH1A1LMNASIRT6KMT2AMAPT
SCHEMBL4802144 0.73 GHSR (0.52) ALDH1A1LMNASIRT6KMT2AMAPT
SCHEMBL15994800 0.73 SIRT6 (0.69) ALDH1A1LMNASIRT6KMT2AMAPK1
SCHEMBL30900362 0.71 SIRT6 (0.49) ALDH1A1LMNASIRT6KMT2AMEN1

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