SCHEMBL7240751

SCHEMBL7240751

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
CYP3A4 P08684 2/20 0.60
TSHR P16473 2/20 0.60
HPGD P15428 1/20 0.60
ALOX15 P16050 1/20 0.60
HIF1A Q16665 1/20 0.60
TXNRD1 Q16881 1/20 0.60
TXNRD3 Q86VQ6 1/20 0.60
TXNRD2 Q9NNW7 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPK1 P28482 2/20 0.54
MAPT P10636 4/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.51
HPD P32754 2/20 0.50
MASP2 O00187 1/20 0.50
F2 P00734 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL29942185 1.00 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL113070 0.84 TDP1 (0.60) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL29398386 0.84 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL30822033 0.84 MAPK1 (0.55) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL3778792 0.84 MAPK1 (0.55) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL1995690 0.84 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL1998640 0.84 CYP3A4 (0.52) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL11668743 0.84 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL2158306 0.84 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRHPGDALOX15
SCHEMBL5961 0.84 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109206332-A A kind of preparation method and application of flumetralim haptens and antigen 中国烟草总公司郑州烟草研究院 2019-01-15 CN claimed
CN-109061171-A It is a kind of detect flumetralim enzyme linked immunological kit and its application 中国烟草总公司郑州烟草研究院 2018-12-21 CN claimed
CN-109641889-A ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF 百欧伊米克思有限公司 2019-04-16 CN disclosed
CN-109206332-A A kind of preparation method and application of flumetralim haptens and antigen 中国烟草总公司郑州烟草研究院 2019-01-15 CN disclosed
CN-103827116-B As LP-PLA2the 2,3-glyoxalidine of inhibitor also [1,2-c] pyrimidine-5 (1H)-one compound 葛兰素集团有限公司 2016-08-31 CN disclosed
CN-103261170-B Fused heterocyclic compounds and their use for pest control 住友化学株式会社 2016-08-24 CN disclosed
EP-2739627-A1 2,3-DIHYDROIMIDAZO[1,2-C]PYRIMIDIN-5(1H)-ONE COMPOUNDS USE AS LP-PLA² INHIBITORS Glaxo Group Limited (GB) 2014-06-11 EP disclosed
CN-102256614-B Synthetic mimetics of host defense and uses thereof POLYMEDIX INC 2014-01-08 CN disclosed
EP-2655337-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF Sumitomo Chemical Company Limited (JP) 2013-10-30 EP disclosed
WO-2013013503-A1 2,3-DIHYDROIMIDAZO[1,2-C] PYRIMIDIN-5(1H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-31 WO disclosed
WO-2012086848-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 WO disclosed
CN-102323341-A Method for detecting 18 varieties of protein hydrolytic amino acids in milk powder through high-performance liquid chromatographic method SHANXI EXIT INSPECTION TECHNOLOGY CT OF INSPECTION AND QUARANTINE BUREAU 2012-01-18 CN disclosed
CN-102256614-A Synthetic mimetics of host defense and uses thereof POLYMEDIX INC 2011-11-23 CN disclosed
US-20030099910-A1 PHOTOCHROMIC SPIROBENZOPYRAN COMPOUNDS AND THEIR DERIVATIVES, SPIROPYRAN GROUP-CONTAINING POLYMERS, PROCESS FOR PRODUCING THE SAME, COMPOSITIONS COMPRISING SAID SPIROPYRANS OR SPIROPYRAN GROUP-CONTAINING POLYMERS AND PHOTOCHROMIC SWITCH THIN FILMS PREPARED KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2003-05-29 US disclosed
CN-1037143-A N-phenylbenzamaide class and N-phenylbenzylamine oximes, its preparation method contains the preparation of this two compounds and as the purposes of sterilant HOECHST AG (DE) 1989-11-15 CN disclosed
US-4520197-A Tetrahydrobenzodiazaphosphorindiones and tetrahydropyridodiazaphosphorindiones ZOECON CORPORATION (US) 1985-05-28 US disclosed
US-4433149-A Esters of ureido-phenyl (or pyridyl) phosphinic acids ZOECON CORPORATION (US) 1984-02-21 US disclosed