SCHEMBL2990923

SCHEMBL2990923

[N-]=[N+]=C(C(=O)C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
CES1 P23141 2/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
SRD5A2 P31213 2/20 0.50
CES2 O00748 1/20 0.50
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.46
GSK3B P49841 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL8746802 0.90 TDP1 (0.58) TDP1CES1CA1CA2SRD5A2
SCHEMBL14638882 0.78 MAPK1 (0.50) TDP1CES1CA1CA2SRD5A2
SCHEMBL1924807 0.77 CES1 (0.73) TDP1CES1CA1CA2SRD5A2
SCHEMBL10585970 0.74 CES1 (0.57) TDP1CES1CA1CA2SRD5A2
SCHEMBL21273296 0.74 KMT2A (0.50) TDP1CES1CA1CA2MAPK1
SCHEMBL10784508 0.72 CES1 (0.62) TDP1CES1CA1CA2SRD5A2
SCHEMBL15180824 0.72 CES1 (0.79) TDP1CES1CA1CA2SRD5A2
SCHEMBL4949082 0.72 TDP1 (0.69) TDP1CES1CA1CA2SRD5A2
SCHEMBL2099160 0.72 CES1 (0.79) TDP1CES1CA1CA2SRD5A2
SCHEMBL4944977 0.72 TDP1 (0.69) TDP1CES1CA1CA2SRD5A2

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
EP-1534734-B1 METHOD FOR THE SYNTHESIS AND SELECTIVE BIOCATALYTIC MODIFICATION OF PEPTIDES, PEPTIDE MIMETICS AND PROTEINS ROCHE DIAGNOSTICS GMBH (DE) 2008-05-07 EP claimed
US-20060149035-A1 Method for the synthesis and selective biocatalytic modification of peptides, peptide mimetics and proteins ROCHE DIAGNOSTICS GMBH (DE) 2006-07-06 US claimed
EP-1534734-A1 METHOD FOR THE SYNTHESIS AND SELECTIVE BIOCATALYTIC MODIFICATION OF PEPTIDES, PEPTIDE MIMETICS AND PROTEINS BOEHRINGER MANNHEIM GMBH (DE) 2005-06-01 EP claimed
WO-2004024751-A1 METHOD FOR THE SYNTHESIS AND SELECTIVE BIOCATALYTIC MODIFICATION OF PEPTIDES, PEPTIDE MIMETICS AND PROTEINS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-25 WO claimed
CN-116063505-B Anti-GAL 3 antibodies and uses thereof 真和制药有限公司 2024-05-03 CN disclosed
CN-117916269-A Method for preventing aggregation of proteins 真和制药有限公司 2024-04-19 CN disclosed
CN-115697418-A Compositions and methods for treating muscular dystrophy 艾维迪提生物科学公司 2023-02-03 CN disclosed
CN-115666589-A Compositions and methods for treating facioscapulohumeral muscular dystrophy 艾维迪提生物科学公司 2023-01-31 CN disclosed
CN-115175704-A Interleukin 10 conjugates and uses thereof 新索思股份有限公司 2022-10-11 CN disclosed
CN-114375296-A Nucleic acid polypeptide compositions and uses thereof 艾维迪提生物科学公司 2022-04-19 CN disclosed
CN-113660946-A IL-2 conjugates and methods of use thereof 新索思股份有限公司 2021-11-16 CN disclosed
CN-113260374-A Interleukin 10 conjugates and uses thereof 新索思股份有限公司 2021-08-13 CN disclosed
WO-2008055118-A2 METHODS AND SYSTEMS FOR IMMOBILIZING CORNEAL PROSTHESES SHIUEY YICHIEH (US) 2008-05-08 WO disclosed
EP-1763537-A2 PEPTIDES FOR INHIBITING THE INTERACTION OF PROTEIN KINASE A AND PROTEIN KINASE A ANCHOR PROTEINS Forschungsverbund Berlin e.V. (DE) 2007-03-21 EP disclosed
WO-2006000213-A9 PEPTIDES FOR INHIBITING THE INTERACTION OF PROTEIN KINASE A AND PROTEIN KINASE A ANCHOR PROTEINS FORSCHUNGSVERBUND BERLIN EV (DE) 2007-03-08 WO disclosed
US-20060149035-A1 Method for the synthesis and selective biocatalytic modification of peptides, peptide mimetics and proteins ROCHE DIAGNOSTICS GMBH (DE) 2006-07-06 US disclosed
EP-1660523-A2 INDUCTION OF ANTIVIRAL NEUTRALIZING ANTIBODIES IN HUMANS AND ANIMALS BRD, vertreten durch das BM für Gesundheit und Soziale Sicherung, Letztvertreten durch den Präsidenten des Robert-Koch-Inst. (DE) 2006-05-31 EP disclosed
WO-2006000213-A2 PEPTIDES FOR INHIBITING THE INTERACTION OF PROTEIN KINASE A AND PROTEIN KINASE A ANCHOR PROTEINS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2006-01-05 WO disclosed
WO-2005021574-A2 INDUCTION OF ANTIVIRAL NEUTRALIZING ANTIBODIES IN HUMANS AND ANIMALS BRD, VERTRETEN DURCH DAS BUNDESMINISTERIUM FÜR GESUNDHEIT UND SOZIALE SICHERUNG, LETZTVERTRETEN DURCH DEN PRÄSIDENTEN DES ROBERT-KOCH-INSTITUTES (DE) 2005-03-10 WO disclosed
US-6783539-B1 Phototriggerable, collagen-crosslinking compounds for wound closure UNIVERSITY OF KANSAS MEDICAL CENTER 2004-08-31 US disclosed