Nitrobenzene

Nitrobenzene

SCHEMBL1006772

NC(=O)O.O=[N+]([O-])c1ccccc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.76
ALDH1A1 P00352 3/20 0.76
CES1 P23141 3/20 0.61
CES2 O00748 2/20 0.61
TSHR P16473 3/20 0.59
TDP1 Q9NUW8 1/20 0.56
POLB P06746 2/20 0.55
MAPK1 P28482 1/20 0.55
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CRHBP P24387 1/20 0.52
ATM Q13315 1/20 0.52
CRHR2 Q13324 1/20 0.52
TLR9 Q9NR96 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
NPC1 O15118 1/20 0.52

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
Nitrobenzene SCHEMBL9736543 0.95 LMNA (0.76) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL8377803 0.95 LMNA (0.76) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL9509478 0.91 ALDH1A1 (0.70) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL27075815 0.90 ALDH1A1 (0.84) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL2029354 0.90 ALDH1A1 (0.84) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL3489404 0.90 ALDH1A1 (0.84) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL6858789 0.90 ALDH1A1 (0.84) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL28162070 0.90 ALDH1A1 (0.84) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL28486716 0.88 ALDH1A1 (0.73) LMNAALDH1A1CES1CES2TSHR
Nitrobenzene SCHEMBL28309740 0.88 ALDH1A1 (0.73) LMNAALDH1A1CES1CES2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106572658-B Molecule and relative intermediate, composition and method with certain disinsection efficiencies 美国陶氏益农公司 2019-11-08 CN disclosed
EP-2269725-B1 MICROPUMP DEVICE SEKISUI CHEMICAL CO LTD (JP) 2019-10-30 EP disclosed
CN-110072857-A 1, 3-disubstituted cyclobutanone or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2019-07-30 CN disclosed
CN-110025574-A A kind of reduction response type amphipathic stem polymer prodrug and its preparation method and application 烟台药物研究所 2019-07-19 CN disclosed
CN-106660988-B Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity 勃林格殷格翰国际有限公司 2019-06-21 CN disclosed
CN-108926718-A A kind of amphiphilic polymer prodrug and its preparation method and application of reduction response release raw medicine 烟台药物研究所 2018-12-04 CN disclosed
CN-105209443-B Indoleamine 2, 3-dioxygenase (IDO) inhibitors 百时美施贵宝公司 2018-08-07 CN disclosed
CN-108368046-A Piperidinone formyl peptide 2 receptor and formyl peptide 1 receptor agonists 百时美施贵宝公司 2018-08-03 CN disclosed
CN-108349936-A It is used to treat N- [2- (1- benzyl piepridine -4- bases) ethyl] -4- (pyrazine -2- bases)-piperazine -1- carboxamides derivatives and related compound of neurological disorder as muscarinic receptor 4 (M4) antagonist 纽罗克里生物科学有限公司 2018-07-31 CN disclosed
CN-107573295-A Molecule and intermediate, composition and its correlation technique with certain agricultural chemicals effectiveness 美国陶氏益农公司 2018-01-12 CN disclosed
CN-105209450-B Molecules and intermediates having pesticidal utility, compositions and methods relating thereto 美国陶氏益农公司 2017-10-20 CN disclosed
CN-107253933-A Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity 勃林格殷格翰国际有限公司 2017-10-17 CN disclosed
CN-107105657-A Molecule and relative intermediate, composition and method with desinsection effectiveness 美国陶氏益农公司 2017-08-29 CN disclosed
CN-104817541-B A kind of synthetic method of antineoplastic 苏州东南药业股份有限公司 2017-06-16 CN disclosed
CN-106660988-A Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity 勃林格殷格翰国际有限公司 2017-05-10 CN disclosed
CN-106572658-A Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto 美国陶氏益农公司 2017-04-19 CN disclosed
CN-103826452-B Pesticidal compositions and processes related thereto 陶氏益农公司 2017-02-01 CN disclosed
US-8353679-B2 Micropump device SEKISUI CHEMICAL CO., LTD. (JP) 2013-01-15 US disclosed
US-20110129392-A1 MICROPUMP DEVICE SEKISUI CHEMICAL CO., LTD. (JP) 2011-06-02 US disclosed
EP-2269725-A1 MICROPUMP DEVICE Sekisui Chemical Co., Ltd. (JP) 2011-01-05 EP disclosed