SCHEMBL5243267

SCHEMBL5243267

CN1CCCN(c2ccc([N+](=O)[O-])c(C(=O)O)c2)CC1.CN1CCCN(c2ccc([N+](=O)[O-])c(C(=O)O)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 9/20 0.68
ALDH1A1 P00352 1/20 0.62
MAPT P10636 3/20 0.59
LMNA P02545 1/20 0.58
HTR6 P50406 4/20 0.54
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 1/20 0.51
MGLL Q99685 1/20 0.50

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
SCHEMBL4878889 1.00 SIRT6 (0.68) SIRT6ALDH1A1MAPTLMNAHTR6
SCHEMBL939887 0.95 SIRT6 (0.74) SIRT6ALDH1A1MAPTHTR6MAPK1
Hydrochloric Acid SCHEMBL591979 0.89 SIRT6 (0.57) SIRT6ALDH1A1MAPTLMNAHTR6
SCHEMBL40110 0.87 HPGD (0.62) SIRT6ALDH1A1MAPTLMNAMAPK1
SCHEMBL10743621 0.84 SIRT6 (0.74) SIRT6ALDH1A1MAPTHTR6MAPK1
SCHEMBL591154 0.84 SIRT6 (0.64) SIRT6ALDH1A1MAPTHTR6MAPK1
Hydrochloric Acid SCHEMBL590998 0.83 SIRT6 (0.63) SIRT6ALDH1A1MAPTHTR6MAPK1
SCHEMBL13312473 0.83 SIRT6 (0.73) SIRT6ALDH1A1MAPTHTR6MAPK1
SCHEMBL1414256 0.82 MAPT (0.60) SIRT6ALDH1A1MAPTMGLL
SCHEMBL22652232 0.81 SIRT6 (1.00) SIRT6ALDH1A1MAPTHTR6MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761506-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2005123696-A1 SUBSTITUTED QUINAZOLONES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2005-12-29 WO disclosed