SCHEMBL1305487

SCHEMBL1305487

Cc1nc2ccc(Br)cc2c(C(=O)O)c1C(=O)O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.85
HTT P42858 1/20 0.85
RXFP1 Q9HBX9 5/20 0.69
PRNP P04156 2/20 0.69
PPARG P37231 2/20 0.69
NCOR2 Q9Y618 2/20 0.69
NR2E3 Q9Y5X4 1/20 0.69
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 1/20 0.56
AURKA O14965 2/20 0.56
AURKB Q96GD4 2/20 0.56
KDR P35968 1/20 0.56
DHODH Q02127 3/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CASP3 P42574 2/20 0.51
KDM4E B2RXH2 2/20 0.50
GLA P06280 1/20 0.50
POLB P06746 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
SCHEMBL15486910 0.87 ALDH1A1 (0.71) ALDH1A1HTTRXFP1PRNPPPARG
SCHEMBL8349971 0.83 ALDH1A1 (0.66) ALDH1A1HTTRXFP1PRNPPPARG
SCHEMBL11091591 0.83 ALDH1A1 (0.60) ALDH1A1HTTRXFP1PRNPPPARG
SCHEMBL31271707 0.82 ALDH1A1 (0.64) ALDH1A1HTTRXFP1PRNPPPARG
SCHEMBL20534577 0.81 ALDH1A1 (0.62) ALDH1A1HTTRXFP1PRNPPPARG
SCHEMBL31442647 0.81 ALDH1A1 (0.76) ALDH1A1HTTRXFP1PRNPPPARG
SCHEMBL2725020 0.80 ALDH1A1 (0.61) ALDH1A1HTTRXFP1PRNPPPARG
SCHEMBL15487502 0.80 ALDH1A1 (0.74) ALDH1A1HTTRXFP1PRNPPPARG
SCHEMBL3970605 0.79 PRNP (0.79) ALDH1A1HTTRXFP1PRNPPPARG
SCHEMBL13136430 0.79 ALDH1A1 (0.60) ALDH1A1HTTRXFP1PRNPPPARG

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 16 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
US-4440768-A ANTIPSYCHOTIC, ANALGESIC AND ANTIDEPRESSANT AGENTS ICI AMERICAS INC. (US) 1984-04-03 US disclosed
US-4350814-A ANTIPSYCHOTIC, ANALGESIC, ANTIDEPRESSANT ICI AMERICAS INC. (US) 1982-09-21 US disclosed
EP-0029286-A1 Pyrrolo(3,4-c)quinoline derivatives, processes therefor, and pharmaceutical compositions ICI AMERICAS INC. (US) 1981-05-27 EP disclosed
US-4268513-A ANALGESICS, ANTIDEPRESSANTS, ANTIPSYCHOTICS ICI AMERICAS INC. (US) 1981-05-19 US disclosed