SCHEMBL346704

SCHEMBL346704

COc1cc2nc(C)c(C)nc2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.60
PGK1 P00558 5/20 0.52
ALDH1A1 P00352 3/20 0.48
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
RPS6KB2 Q9UBS0 2/20 0.46
PDE3A Q14432 2/20 0.46
PDE3B Q13370 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PDE10A Q9Y233 2/20 0.44
MAPT P10636 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
G6PD P11413 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL11207512 0.88 NQO2 (0.52) NQO2PGK1ALDH1A1PDGFRBPDGFRA
SCHEMBL11203601 0.84 POLB (0.47) NQO2PGK1ALDH1A1MAPTGAA
SCHEMBL650718 0.84 NQO2 (0.50) NQO2PGK1ALDH1A1PDGFRBPDGFRA
SCHEMBL11205485 0.84 NQO2 (0.45) NQO2PGK1ALDH1A1KDM4EGLA
SCHEMBL29029328 0.81 NQO2 (0.62) NQO2PGK1ALDH1A1PDGFRBPDGFRA
SCHEMBL11202172 0.81 PDE4A (0.47) NQO2PGK1ALDH1A1PDGFRBPDGFRA
SCHEMBL11207779 0.81 NQO2 (0.43) NQO2PGK1ALDH1A1PDGFRBPDGFRA
SCHEMBL11477391 0.80 NQO2 (0.46) NQO2PGK1ALDH1A1PDGFRBPDGFRA
SCHEMBL11696562 0.78 PDE4A (0.54) NQO2PGK1ALDH1A1PDGFRBPDGFRA
SCHEMBL31530749 0.77 PGK1 (0.68) NQO2PGK1ALDH1A1PDGFRBPDGFRA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104854458-B Methylglyoxal as a marker for cancer 抗癌治疗研究协会 2018-02-09 CN claimed
EP-0014688-B1 PROCESS FOR THE TREATMENT OF SILVER DYE-BLEACHING MATERIALS, AQUEOUS PREPARATION THEREFOR, CONCENTRATE AND PROCESS FOR MAKING THE PREPARATION CIBA-GEIGY AG (CH) 1983-03-23 EP claimed
US-4304846-A USING MIXTURES OF A 1,4- OR 1,2-DIAZINE AS BLEACHING CATALYSTS; PREFERENTIAL REDOX POTENTIALS CIBA-GEIGY AG (CH) 1981-12-08 US claimed
EP-0014688-A2 Process for the treatment of silver dye-bleaching materials, aqueous preparation therefor, concentrate and process for making the preparation CIBA-GEIGY AG (CH) 1980-08-20 EP claimed
EP-3301448-B1 METHYLGLYOXAL AS A MARKER OF CANCER ASSOCIATION POUR LA RECH THERAPEUTIQUE ANTI CANCEREUSE (FR) 2021-03-03 EP disclosed
EP-3301448-A1 METHYLGLYOXAL AS A MARKER OF CANCER Association pour la Recherche Thérapeutique Anti-Cancéreuse (FR) 2018-04-04 EP disclosed
CN-104854458-B Methylglyoxal as a marker for cancer 抗癌治疗研究协会 2018-02-09 CN disclosed
EP-2912465-B1 METHYLGLYOXAL AS A MARKER OF CANCER ASS POUR LA RECH THÉRAPEUTIQUE ANTI-CANCÉREUSE (FR) 2017-10-25 EP disclosed
US-20160178637-A1 DETECTION OF ALPHA, BETA-DICARBONYL COMPOUNDS WITH FLUOROGENIC PROBES THE UNIVERSITY OF WARWICK (GB) 2016-06-23 US disclosed
EP-3030904-A1 DETECTION OF ALPHA, BETA-DICARBONYL COMPOUNDS WITH FLUOROGENIC PROBES The University Of Warwick (GB) 2016-06-15 EP disclosed
US-20150301056-A1 METHYLGLYOXAL AS A MARKER OF CANCER ASSOCIATION POUR LA RECHERCHE THERAPEUTIQUE ANTI-CANCEREUSE (FR) 2015-10-22 US disclosed
EP-2912465-A1 METHYLGLYOXAL AS A MARKER OF CANCER Association pour la Recherche Thérapeutique Anti-Cancéreuse (FR) 2015-09-02 EP disclosed
EP-1767560-A1 METHOD FOR PRODUCING AROMATIC COMPOUND POLYMER Sumitomo Chemical Company, Limited (JP) 2007-03-28 EP disclosed
WO-2005051968-A1 TREATMENT OF SUGAR SOLUTIONS WIVENHOE TECHNOLOGY LTD (GB) 2005-06-09 WO disclosed
EP-0014688-B1 PROCESS FOR THE TREATMENT OF SILVER DYE-BLEACHING MATERIALS, AQUEOUS PREPARATION THEREFOR, CONCENTRATE AND PROCESS FOR MAKING THE PREPARATION CIBA-GEIGY AG (CH) 1983-03-23 EP disclosed
US-4304846-A USING MIXTURES OF A 1,4- OR 1,2-DIAZINE AS BLEACHING CATALYSTS; PREFERENTIAL REDOX POTENTIALS CIBA-GEIGY AG (CH) 1981-12-08 US disclosed
EP-0014688-A2 Process for the treatment of silver dye-bleaching materials, aqueous preparation therefor, concentrate and process for making the preparation CIBA-GEIGY AG (CH) 1980-08-20 EP disclosed
US-4043819-A Photo-polymerizable material for the preparation of stable polymeric images and process for making them by photopolymerization in a matrix CIBA-GEIGY AG (CH) 1977-08-23 US disclosed
US-4001017-A REDOX CATALYSTS, DIAZINES, ELECTRON DONORS CIBA-GEIGY AG (CH) 1977-01-04 US disclosed
US-3961957-A ACID, WATER SOLUBLE IODIDE CIBA-GEIGY AG (CH) 1976-06-08 US disclosed