SCHEMBL1304980

SCHEMBL1304980

CC(COc1ccc(N(C(N)=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 5/20 0.40
MAPK1 P28482 3/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 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
SCHEMBL1305387 0.92 MAPT (0.42) KDM4ENPSR1GAAMAPTMAPK1
SCHEMBL1304941 0.86 GAA (0.48) GAAMAPTMAPK1POLBMEN1
SCHEMBL1305298 0.84 ALDH1A1 (0.40) KDM4ENPSR1MAPTMAPK1POLB
SCHEMBL1304563 0.80 MAOA (0.39) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL1304978 0.79 PSEN1 (0.46) KDM4ENPSR1GAAMAPTMAPK1
SCHEMBL1305528 0.78 SMN1; SMN2 (0.36) KDM4ENPSR1POLBMEN1KMT2A
SCHEMBL1305898 0.77 NR1H4 (0.39) POLBSMN1; SMN2
SCHEMBL1305269 0.77 CYP1A2 (0.37) KDM4ENPSR1GAAMAPTPOLB
SCHEMBL9339362 0.77 MAPT (0.56) GAAMAPTMAPK1MEN1KMT2A
SCHEMBL1306105 0.77 CYP1A2 (0.39) KDM4ENPSR1GAAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048896-B2 Inhibit nonenzymatic formation of advanced glycation end-products (AGE) using e.g. aminoguanidine, OPB-9195 [(+/-)-2-isopropylidenehydrazono-4-oxo-thiazolidin-5-yla cetanilide], pyridoxamine, antioxidants, alagebrium, antihypertensives, angiotensin-converting enzyme inhibitors Cell Viable Corporation (US) 2011-11-01 US claimed
EP-1165064-B1 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) HOPE CITY (US) 2004-02-25 EP claimed
US-6337350-B1 CROSSLINKING INHIBITION OF PROTEINS CITY OF HOPE 2002-01-08 US claimed
EP-1165064-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) City of Hope (US) 2002-01-02 EP claimed
WO-2000059875-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) CITY OF HOPE (US) 2000-10-12 WO claimed
US-8053449-B2 Method for inhibiting AGE complex formation Cell Viable Corporation (US) 2011-11-08 US disclosed
US-8048896-B2 Inhibit nonenzymatic formation of advanced glycation end-products (AGE) using e.g. aminoguanidine, OPB-9195 [(+/-)-2-isopropylidenehydrazono-4-oxo-thiazolidin-5-yla cetanilide], pyridoxamine, antioxidants, alagebrium, antihypertensives, angiotensin-converting enzyme inhibitors Cell Viable Corporation (US) 2011-11-01 US disclosed
US-20080076804-A1 METHODS FOR INHIBITING AND BREAKING AGE COMPLEX FORMATION Cell Viable Corporation 2008-03-27 US disclosed
US-20070099966-A1 Device and Method for Inhibiting AGE Complex Formation Cell Viable Corporation 2007-05-03 US disclosed
WO-2007044309-A2 DEVICE AND METHOD FOR INHIBITING AGE COMPLEX FORMATION VASIX CORPORATION (US) 2007-04-19 WO disclosed
EP-1165064-B1 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) HOPE CITY (US) 2004-02-25 EP disclosed
US-6337350-B1 CROSSLINKING INHIBITION OF PROTEINS CITY OF HOPE 2002-01-08 US disclosed
EP-1165064-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) City of Hope (US) 2002-01-02 EP disclosed
WO-2000059875-A2 NOVEL INHIBITORS OF FORMATION OF ADVANCED GLYCATION ENDPRODUCTS (AGE'S) CITY OF HOPE (US) 2000-10-12 WO disclosed