SCHEMBL4256259

SCHEMBL4256259

Nc1cc(N2CCN(CC(=O)O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
MAPT P10636 7/20 0.64
SIRT6 Q8N6T7 4/20 0.64
RECQL P46063 1/20 0.60
HTR7 P34969 1/20 0.49
POLB P06746 1/20 0.48
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
S1PR1 P21453 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2553773 0.83 MAPT (0.69) LMNAMAPTSIRT6RECQLHTR7
SCHEMBL213791 0.83 LMNA (0.69) LMNAMAPTSIRT6RECQLMAPK1
SCHEMBL213790 0.83 LMNA (0.69) LMNAMAPTSIRT6RECQLMAPK1
SCHEMBL4772717 0.83 MAPT (0.72) LMNAMAPTSIRT6RECQLHTR7
SCHEMBL16054004 0.83 KMT2A (0.64) LMNAMAPTSIRT6RECQLMAPK1
SCHEMBL4261574 0.82 S1PR1 (0.50) MAPTRECQLPOLBMAPK1ALDH1A1
SCHEMBL31306580 0.82 MAPT (0.71) LMNAMAPTSIRT6RECQLHTR7
SCHEMBL3535914 0.80 LMNA (0.64) LMNAMAPTSIRT6RECQLHTR7
SCHEMBL5058364 0.79 MAPT (0.71) LMNAMAPTSIRT6RECQLPOLB
SCHEMBL3109069 0.79 LMNA (1.00) LMNAMAPTSIRT6RECQLMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044938-A2 Radioprotectors Peter MacCallum Cancer Institute (AU) 2009-04-08 EP disclosed
EP-0857067-A4 RADIOPROTECTORS PETER MACCALLUM CANCER INST (AU) 2005-01-19 EP disclosed
US-6548505-B1 Protecting biological materials from damage caused by radiation; side effect reduction during radiotherapy or chemotherapy; indole, benzimidazole, benzoxazole or benzothiazole compounds substituted with 4-alkylpiperazino PETER MACCALLUM CANCER INSTITUTE (AU) 2003-04-15 US disclosed
US-6194414-B1 CANCER THERAPY; PREVENT RADIATION DAMAGE THE INNER AND EASTERN HEALTH CARE NETWORK (AU) 2001-02-27 US disclosed
EP-0857067-A1 RADIOPROTECTORS The Inner and Eastern Health Care Network (AU) 1998-08-12 EP disclosed
WO-1997004776-A1 RADIOPROTECTORS THE INNER AND EASTERN HEALTH CARE NETWORK (AU) 1997-02-13 WO disclosed