SCHEMBL608117

SCHEMBL608117

CN(N=O)C(CCC(=O)c1cccnc1)NN=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
PLOD3 O60568 1/20 0.41
PLOD1 Q02809 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL18106041 0.84 PLOD2 (0.47) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL29020091 0.81 PLOD2 (0.50) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL28522671 0.77 PLOD2 (0.50) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL5069202 0.75 PLOD2 (0.48) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL30173794 0.73 PLOD2 (0.56) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL9433142 0.73 PLOD2 (0.56) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL454516 0.72 HDAC1 (0.53) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL29367901 0.72 HDAC1 (0.53) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL20897346 0.71 HDAC1 (0.56) PLOD2HDAC1HDAC8PLOD3PLOD1
SCHEMBL7075878 0.71 PLOD2 (0.69) PLOD2HDAC1HDAC8PLOD3PLOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727225-B Preparation method and application of carbodiimide zinc material 上海烟草集团有限责任公司 2021-07-09 CN disclosed
CN-104395473-A Transgenic plants with altered nitrate levels in leaves BRITISH AMERICAN TOBACCO CO 2015-03-04 CN disclosed
CN-104204210-A Transgenic plants with altered nitrate levels in leaves BRITISH AMERICAN TOBACCO CO 2014-12-10 CN disclosed
CN-104203974-A Transgenic plants with lower nitrate content in leaves BRITISH AMERICAN TOBACCO CO 2014-12-10 CN disclosed
US-8417324-B2 Fluorescence lifetime spectrometer (FLS) and methods of detecting diseased tissue TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-04-09 US disclosed
EP-2500027-A1 COMPOSITION FOR COUNTERACTING SMOKING TOXICITY Nam, Jong Hyun (KR) 2012-09-19 EP disclosed
US-20120225140-A1 COMPOSITION FOR COUNTERACTING SMOKING TOXICITY NAM JONG HYUN (KR) 2012-09-06 US disclosed
US-20120041315-A1 Fluorescence Lifetime Spectrometer (FLS) and Methods of Detecting Diseased Tissue TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-02-16 US disclosed
US-8068898-B2 Fluorescence lifetime spectrometer (FLS) and methods of detecting diseased tissues TRUSTEES OF DARTMOUTH COLLEGE (US) 2011-11-29 US disclosed
US-7586022-B2 Transgenic non-human animal model of lung tumorigenesis TRUSTEES OF DARTMOUTH COLLEGE (US) 2009-09-08 US disclosed
CN-100434514-C Agrobacterium tumefaciens capable of metabolizing nicotine and application thereof UNIV SHANDONG (CN) 2008-11-19 CN disclosed
CN-100434513-C Pseudomonas putida capable of metabolizing nicotine and application thereof UNIV SHANDONG (CN) 2008-11-19 CN disclosed
CN-101016528-A Pseudomonas putida capable of metabolizing nicotine and application thereof UNIV SHANDONG (CN) 2007-08-15 CN disclosed
CN-101016529-A Agrobacterium tumefaciens capable of metabolizing nicotine and application thereof UNIV SHANDONG (CN) 2007-08-15 CN disclosed
WO-2007016263-A1 TRANSGENIC NON-HUMAN ANIMAL MODEL OF LUNG TUMORIGENESIS TRUSTEES OF DARTMOUTH COLLEGE (US) 2007-02-08 WO disclosed
US-20040073119-A1 Fluorescence lifetime spectrometer (fls) and methods of detecting diseased tissues NATIONAL SCIENCE FOUNDATION 2004-04-15 US disclosed
WO-2004009771-A2 STENTS CAPABLE OF CONTROLLABLY RELEASING HISTONE DEACETYLASE INHIBITORS ADVANCED STENT TECHNOLOGIES, INC. (US) 2004-01-29 WO disclosed
EP-1372483-A2 FLUORESCENCE LIFETIME SPECTROMETER (FLS) AND METHODS OF DETECTING DISEASED TISSUES Trustees of Dartmouth College (US) 2004-01-02 EP disclosed
WO-2002069784-A2 FLUORESCENCE LIFETIME SPECTROMETER (FLS) AND METHODS OF DETECTING DISEASED TISSUES TRUSTEES OF DARTMOUTH COLLEGE (US) 2002-09-12 WO disclosed
US-6323325-B1 Agents that bind to and inhibit human cytochrome P450 2A6 THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-11-27 US disclosed