SCHEMBL216553

SCHEMBL216553

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

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.72
ATM Q13315 1/20 0.72
TSHR P16473 4/20 0.56
CYP3A4 P08684 2/20 0.56
PDE7A Q13946 1/20 0.50
CASP6 P55212 1/20 0.50
HSPB1 P04792 4/20 0.47
HIF1A Q16665 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KCNMA1 Q12791 1/20 0.44
VCAM1 P19320 1/20 0.44
MAPK1 P28482 1/20 0.43
TTR P02766 1/20 0.42
GPR35 Q9HC97 1/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29745239 1.00 TDP1 (0.72) TDP1ATMTSHRCYP3A4PDE7A
Benzene SCHEMBL27678346 0.96 TDP1 (0.67) TDP1ATMTSHRCYP3A4PDE7A
SCHEMBL29462663 0.84 ATM (0.69) TDP1ATMTSHRPDE7AHSPB1
SCHEMBL29385912 0.84 TDP1 (1.00) TDP1ATMTSHRCYP3A4PDE7A
SCHEMBL57112 0.84 TDP1 (1.00) TDP1ATMTSHRCYP3A4PDE7A
SCHEMBL29462665 0.84 ATM (0.63) TDP1ATMPDE7AHSPB1HIF1A
SCHEMBL102780 0.84 ATM (0.69) TDP1ATMTSHRPDE7AHSPB1
Hydrogen Sulfide SCHEMBL21810723 0.82 ATM (0.67) TDP1ATMPDE7AHSPB1HIF1A
SCHEMBL13858880 0.82 TDP1 (0.67) TDP1ATMTSHRCYP3A4PDE7A
SCHEMBL31121788 0.82 TDP1 (0.96) TDP1ATMTSHRCYP3A4PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110527092-A A method of preparing high molecular weight poly arylidene thio-ester sulfone ZHUHAI CHANGXIAN NEW MATERIALS TECH CO LTD 2019-12-03 CN claimed
CN-110423556-A A kind of bridge deck water-proof adhesive layer and its application method with high shear strength SHANXI TRANSP PLANNING SURVEY AND DESIGN INSTITUTE CO LTD 2019-11-08 CN claimed
CN-110105220-A A method of m-phenylene diamine (MPD) is prepared using meta position oil as raw material 济南和润化工科技有限公司 2019-08-09 CN claimed
CN-106543202-B A kind of preparation method and application of novel detection benzenethiol fluorescent molecular probe 湖南师范大学 2018-08-07 CN claimed
CN-105621587-B A kind of method using potentiometric titrations degradating chloro nitro-aromatic 浙江大学 2018-01-23 CN claimed
CN-104407143-B A kind of C hepatitis virus antigen-antibody combined detection kit SHANDONG BIOBASE BIODUSTRY CO., LTD. (CN) 2016-04-27 CN claimed
CN-104007215-B The construction method of fairy maiden Chinese medicine sieve finger-print GUANGDONG PHARMACEUTICAL UNIVERSITY (CN) 2015-08-26 CN claimed
CN-104407143-A Hepatitis c virus antigen-antibody joint detection kit BIOBASE BIODUSTRY SHANDONG CO 2015-03-11 CN claimed
CN-104173327-A Sugar-free lysine zinc gluconate granules and quality detection method thereof ZHENG JINGCAO 2014-12-03 CN claimed
CN-104076100-A ANALYSIS OF AMINO ACIDS IN BODY FLUID BY LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY QUEST DIAGNOSTICS INVEST INC 2014-10-01 CN claimed
CN-101733154-A Cure catalyst for solid propellant and preparation method thereof UNIV SUZHOU 2010-06-16 CN claimed
CN-101398413-A Liquid phase analytical method for iminodiacetic acid UNIV ZHEJIANG TECHNOLOGY (CN) 2009-04-01 CN claimed
CN-1320354-C Method for analysizing amino acid TIANJIN PHARMACEUTICAL INST CO (CN) 2007-06-06 CN claimed
CN-1785964-A Synthesis method of non symmetrical hydroazobenzene XINYANG NORMAL COLLEGE (CN) 2006-06-14 CN claimed
CN-1785189-A Method for quality control of compounding metformin glipidide SHENQI GROUP CO LTD GUIZHOU (CN) 2006-06-14 CN claimed
CN-1749748-A Method for analysizing amino acid TIANJIN PHARMACEUTICAL INST CO (CN) 2006-03-22 CN claimed
CN-1179752-C Benzodiazepine * compound containing imidazole propionamido and its preparation method and use 中国医学科学院药物研究所 2004-12-15 CN claimed
CN-1373122-A Extracting process for preparing 2,4-dinitrofluorobenzene FUDU CHEMICAL CO LTD SHEYANG C (CN) 2002-10-09 CN claimed
CN-1338456-A Benzodiazepine compound containing imidazole propionamido and preparation method and application thereof INST OF MEDICAL MATERIALS CHIN (CN) 2002-03-06 CN claimed
US-3944575-A Aryl ether compounds and their synthesis THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1976-03-16 US claimed