SCHEMBL3345704

SCHEMBL3345704

COc1cc(N2CC(C)N(CC=O)CC2C)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
LMNA P02545 6/20 0.49
SIRT6 Q8N6T7 1/20 0.47
MAPT P10636 9/20 0.43
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
PRKDC P78527 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 4/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.34
HTR6 P50406 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL3349400 0.84 SIRT6 (0.58) ALDH1A1LMNASIRT6MAPTKDM4E
SCHEMBL3316503 0.78 ALDH1A1 (0.51) ALDH1A1LMNASIRT6MAPTPOLB
SCHEMBL3316500 0.78 ALDH1A1 (0.51) ALDH1A1LMNASIRT6MAPTPOLB
SCHEMBL3316506 0.78 ALDH1A1 (0.51) ALDH1A1LMNASIRT6MAPTPOLB
SCHEMBL3315996 0.75 ALDH1A1 (0.53) ALDH1A1LMNASIRT6MAPTPOLB
SCHEMBL3316004 0.75 ALDH1A1 (0.53) ALDH1A1LMNASIRT6MAPTPOLB
SCHEMBL3316000 0.75 ALDH1A1 (0.53) ALDH1A1LMNASIRT6MAPTPOLB
SCHEMBL15994800 0.74 SIRT6 (0.69) ALDH1A1LMNASIRT6MAPTKDM4E
SCHEMBL3310207 0.71 SIRT6 (0.61) ALDH1A1LMNASIRT6MAPTRAB9A
SCHEMBL3310202 0.71 SIRT6 (0.61) ALDH1A1LMNASIRT6MAPTRAB9A

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