SCHEMBL7793658

SCHEMBL7793658

O=[N+]([O-])NN[N+](=O)[O-].c1cc2ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.38
CA12 O43570 5/20 0.38
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
CA14 Q9ULX7 4/20 0.38
LMNA P02545 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
APP P05067 1/20 0.36
MAPK1 P28482 1/20 0.34
CYP19A1 P11511 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL20840329 0.79
SCHEMBL31732365 0.75 ALDH1A1 (0.38) CA9CA12CA2CA1CA14
SCHEMBL29195584 0.69 CA9 (0.48) CA9CA12CA2CA1CA14
SCHEMBL6423919 0.69 CA1 (0.67) CA9CA12CA2CA1CA14
SCHEMBL28198 0.69 CA1 (0.67) CA9CA12CA2CA1CA14
Water SCHEMBL28670631 0.67 CA1 (0.64) CA9CA12CA2CA1CA14
SCHEMBL28343678 0.67 CA12 (0.37) CA9CA12CA2CA1CA14
Iodide SCHEMBL27466371 0.63 ALDH1A1 (0.58) LMNAALDH1A1MAPTPOLBTDP1
SCHEMBL25187033 0.61 MAPK1 (0.74) CA9CA12CA2CA1CA14
Formaldehyde SCHEMBL11692777 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272552-B1 METHOD AND DEVICE FOR KETONE MEASUREMENT ABBOTT LABORATORIES (US) 1992-09-09 EP claimed
EP-0125698-B1 A PROCESS FOR SCREENING MICROORGANISMS PRODUCING GLUCOSE-2-OXIDASE NABISCO BRANDS, Inc. (US) 1989-12-13 EP claimed
CN-104290364-B Plastic wire of a kind of anti-light aging and preparation method thereof NINGXIA RUNLONG PACKAGING NEW MATERIAL CO., LTD. (CN) 2016-03-02 CN disclosed
CN-104290364-A Anti-photoaging plastic filament and preparation method of anti-photoaging plastic filament NINGXIA RUNLONG PACKAGING NEW MATERIAL CO LTD 2015-01-21 CN disclosed
CN-101605526-A Microcapsule GIVAUDAN SA (CH) 2009-12-16 CN disclosed
CN-100467033-C Vegetal hepatoprotective agent and its manufacturing method COUNCIL SCIENT IND RES (IN) 2009-03-11 CN disclosed
CN-1842326-A Suppressant of toxicity induced by cancer chemotherapeutic agent and composition of cancer chemotherapeutic agent containing the same BIOCARE CO LTD (KR) 2006-10-04 CN disclosed
CN-1771048-A Vegetal hepatoprotective agent and its manufacturing method COUNCIL SCIENT IND RES (IN) 2006-05-10 CN disclosed
CN-1332642-A Decontamination method and composition therefor ALLIED THERAPEUTICS LTD (GB) 2002-01-23 CN disclosed
EP-1155137-A1 FLAVOUR/AROMA MATERIALS AND THEIR PREPARATION ZYLEPSIS LIMITED (GB) 2001-11-21 EP disclosed
WO-2000050622-A1 FLAVOUR/AROMA MATERIALS AND THEIR PREPARATION ZYLEPSIS LIMITED (GB) 2000-08-31 WO disclosed
EP-0000107-B1 METALLIC OR METALLISED ARTICLE COATED WITH A POLYPHENYLENE OXIDE FILM CARRYING REACTIVE GROUPS, ITS ELECTROCHEMICAL PREPARATION AND ITS USE ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1980-07-23 EP disclosed