SCHEMBL2003175

SCHEMBL2003175

O=C(O)[C@H](CS)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 3/20 0.48
GAA P10253 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CASP7 P55210 1/20 0.47
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.44
PDK1 Q15118 1/20 0.44

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
SCHEMBL9068346 1.00 MEN1 (0.53) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL1695820 0.87 GPR35 (0.43) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL5582440 0.87 MEN1 (0.54) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL5582439 0.87 MEN1 (0.54) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL5582438 0.87 MEN1 (0.54) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL6404329 0.85 CYP1A2 (0.55) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL28062163 0.85 KMT2A (0.53) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL6695015 0.85 CYP1A2 (0.55) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL6404322 0.85 CYP1A2 (0.55) MEN1KMT2ARAB9AGAACYP3A4
SCHEMBL6615905 0.84 RAB9A (0.53) MEN1KMT2ARAB9AGAACYP3A4

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
EP-0530322-A4 NOVEL AND IMPROVED METHOD FOR DETERMINATION OF E. COLI IN WATER UNIV CALIFORNIA (US) 1994-06-29 EP claimed
EP-0530322-A1 NOVEL AND IMPROVED METHOD FOR DETERMINATION OF E. COLI IN WATER. UNIV CALIFORNIA (US) 1993-03-10 EP claimed
WO-1991018111-A1 NOVEL AND IMPROVED METHOD FOR DETERMINATION OF E. COLI IN WATER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-11-28 WO claimed
US-7964709-B2 Mutant tyrosine repressor, a gene encoding the same, and a method for producing L-DOPA AJINOMOTO CO., INC. (JP) 2011-06-21 US disclosed
US-20090258400-A1 Mutant Tyrosine Repressor, a Gene Encoding the Same, and a Method for Producing L-Dopa KUMAGAI HIDEHIKO 2009-10-15 US disclosed
US-7365161-B2 Mutant tyrosine repressor which does not require tyrosine to induce expression of the tyrosine phenol-lyase gene AJINOMOTO CO., INC. (JP) 2008-04-29 US disclosed
EP-1582529-B1 Mutant tyrosine repressor, a gene encoding the same, and a method for producing L-DOPA AJINOMOTO KK (JP) 2008-03-19 EP disclosed
US-20050277174-A1 Mutant tyrosine repressor, a gene encoding the same, and a method for producing L-DOPA AJINOMOTO CO., INC. (JP) 2005-12-15 US disclosed
EP-1582529-A1 Mutant tyrosine repressor, a gene encoding the same, and a method for producing L-DOPA Ajinomoto Co., Inc. (JP) 2005-10-05 EP disclosed
EP-0733642-B1 Benzazepin-, benzoxazepin- and benzothiazepin-N-acetic acid-derivatives, their preparation and their pharmaceutical compositions SOLVAY PHARM GMBH (DE) 2000-11-29 EP disclosed
US-5677297-A ENZYME INHIBITOR FOR TREATING THE HEART FAILURE TO REDUCE THE CARDIAC PRESSURE, DIURETICS SOLVAY PHARMACEUTICALS GMBH (DE) 1997-10-14 US disclosed
US-5629202-A FROM INDOLE, AMMONIUM CHLORIDE AND PYRUVIC ACID OR SODIUM PYRUVATE, CONTROLLED FEEDING OF REACTANTS BASED ON PREDEFINED PROFILE, ENZYMATIC REACTION DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 1997-05-13 US disclosed
EP-0733642-A1 Benzazepin-, benzoxazepin- and benzothiazepin-N-acetic acid-derivatives, their preparation and their pharmaceutical compositions Kali-Chemie Pharma GmbH (DE) 1996-09-25 EP disclosed
EP-0530322-A4 NOVEL AND IMPROVED METHOD FOR DETERMINATION OF E. COLI IN WATER UNIV CALIFORNIA (US) 1994-06-29 EP disclosed
EP-0530322-A1 NOVEL AND IMPROVED METHOD FOR DETERMINATION OF E. COLI IN WATER. UNIV CALIFORNIA (US) 1993-03-10 EP disclosed
WO-1991018111-A1 NOVEL AND IMPROVED METHOD FOR DETERMINATION OF E. COLI IN WATER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-11-28 WO disclosed