Nitrobenzene

Nitrobenzene

SCHEMBL27684151

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

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.80
LMNA P02545 2/20 0.80
TSHR P16473 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CRHBP P24387 2/20 0.54
CRHR2 Q13324 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
TLR9 Q9NR96 1/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
ACHE P22303 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
NFE2L2 Q16236 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47

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 SCHEMBL27684754 0.90 ALDH1A1 (0.89) ALDH1A1LMNATSHRL3MBTL1CRHBP
Nitrobenzene SCHEMBL1330825 0.89
Nitrobenzene SCHEMBL15525745 0.89 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1CRHBP
Nitrobenzene SCHEMBL2255264 0.89 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1CRHBP
Nitrobenzene SCHEMBL9669095 0.89
Nitrobenzene SCHEMBL1330714 0.89
Nitrobenzene SCHEMBL20411 0.89
Nitrobenzene SCHEMBL2358164 0.89 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1CRHBP
Nitrobenzene SCHEMBL28890185 0.89 ALDH1A1 (0.70) ALDH1A1LMNATSHRL3MBTL1CRHBP
Nitrobenzene SCHEMBL17653057 0.87 ALDH1A1 (0.84) ALDH1A1LMNATSHRL3MBTL1CRHBP

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-210915881-U Production device for producing nitrobenzyl ether 安徽生源化工有限公司 2020-07-03 CN claimed
CN-106117143-B A kind of preparation method of pyraclostrobin 青岛瀚生生物科技股份有限公司 2019-01-08 CN claimed
CN-106588669-B Method for continuously preparing nitrobenzyl ether by using microchannel reaction system 南京工业大学 2018-09-11 CN claimed
CN-106588669-A Method for continuously preparing nitrobenzyl ether by using microchannel reaction system 南京工业大学 2017-04-26 CN claimed
CN-106431940-A Device and method of aminoanisole production by sodium hydrosulfide reduction 连云港泰盛化工有限公司 2017-02-22 CN claimed
CN-106117143-A A kind of preparation method of pyraclostrobin 青岛瀚生生物科技股份有限公司 2016-11-16 CN claimed
CN-104910361-A Polylactic acid photo/hydrolytic-double-degradable polymer and preparation method thereof UNIV CHANGZHOU 2015-09-16 CN claimed
CN-109305923-B Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2022-03-11 CN disclosed
CN-109305924-B Synthetic method of aminoanisole compound 中国石油化工股份有限公司 2022-01-04 CN disclosed
CN-210915881-U Production device for producing nitrobenzyl ether 安徽生源化工有限公司 2020-07-03 CN disclosed
CN-210915881-U Production device for producing nitrobenzyl ether 安徽生源化工有限公司 2020-07-03 CN disclosed
CN-110325575-A Plastics composite, its production method and purposes ATP 艾舍+托博斯产品开发有限公司 2019-10-11 CN disclosed
CN-110023308-A N-ACYLETHANOLAMIDE DERIVATIVES AND USES THEREOF 卡诺有限责任公司 2019-07-16 CN disclosed
CN-106117143-B A kind of preparation method of pyraclostrobin 青岛瀚生生物科技股份有限公司 2019-01-08 CN disclosed
CN-106588669-B Method for continuously preparing nitrobenzyl ether by using microchannel reaction system 南京工业大学 2018-09-11 CN disclosed
CN-106588669-A Method for continuously preparing nitrobenzyl ether by using microchannel reaction system 南京工业大学 2017-04-26 CN disclosed
CN-106117143-A A kind of preparation method of pyraclostrobin 青岛瀚生生物科技股份有限公司 2016-11-16 CN disclosed
CN-104910361-B Double degradation polymer of a kind of polylactic acid light/water and preparation method thereof 常州大学 2016-08-17 CN disclosed
CN-104910361-A Polylactic acid photo/hydrolytic-double-degradable polymer and preparation method thereof UNIV CHANGZHOU 2015-09-16 CN disclosed
CN-100361957-C Tech. of preparing 2,4-di nitro methyl-phenoxide by nitro methyl-phenoxide continuous thermal insulating nitration JIASEN CHEMICAL INDUSTRY CO LT (CN) 2008-01-16 CN disclosed