SCHEMBL1304618

SCHEMBL1304618

CC(COc1ccc(N(C(N)=O)c2ccncc2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
AAK1 Q2M2I8 2/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.36
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL1304682 0.88 ALOX5 (0.43) POLBSMN1; SMN2NPSR1LMNAALOX5
SCHEMBL1305521 0.87 TBXAS1 (0.39) SMN1; SMN2KMT2ANPC1LMNATSHR
SCHEMBL1305107 0.87 L3MBTL1 (0.41) CYP3A4POLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL1304251 0.87 LDHA (0.41) POLBSMN1; SMN2KMT2ANPC1ALDH1A1
SCHEMBL1305429 0.87 HDAC1 (0.46) POLBSMN1; SMN2MAOBKMT2AKDM4E
SCHEMBL1305197 0.86 POLB (0.39) CYP3A4POLBSMN1; SMN2KDM4ELMNA
SCHEMBL1304547 0.86 MAPK1 (0.47) POLBSMN1; SMN2KMT2ANPSR1NPC1
SCHEMBL5335445 0.84 POLB (0.37) CYP3A4POLBSMN1; SMN2KDM4ELMNA
SCHEMBL1306105 0.82 CYP1A2 (0.39) CYP3A4POLBSMN1; SMN2KMT2ANPSR1
SCHEMBL1304974 0.82 MAOB (0.38) POLBSMN1; SMN2MAOBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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