SCHEMBL213849

SCHEMBL213849

O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
GPR35 Q9HC97 6/20 0.61
TDP1 Q9NUW8 4/20 0.57
HPGD P15428 3/20 0.57
HIF1A Q16665 3/20 0.57
TSHR P16473 3/20 0.57
ALOX15 P16050 2/20 0.57
CYP3A4 P08684 2/20 0.57
TXNRD1 Q16881 2/20 0.57
TXNRD3 Q86VQ6 2/20 0.57
TXNRD2 Q9NNW7 2/20 0.57
VCAM1 P19320 1/20 0.57
MAPK1 P28482 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
TTR P02766 1/20 0.54
CYP1A2 P05177 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL10818750 1.00 ALDH1A1 (0.62) ALDH1A1GPR35TDP1HPGDHIF1A
Hydrochloric Acid SCHEMBL10582751 0.98 ALDH1A1 (0.60) ALDH1A1GPR35TDP1HPGDHIF1A
Ammonia Solution, Strong SCHEMBL11695961 0.98 ALDH1A1 (0.60) ALDH1A1GPR35TDP1HPGDHIF1A
Acetone SCHEMBL3134499 0.89 GPR35 (0.56) ALDH1A1GPR35TDP1HPGDHIF1A
SCHEMBL496363 0.89 ALDH1A1 (0.75) ALDH1A1GPR35TDP1HPGDHIF1A
SCHEMBL31264960 0.89 ALDH1A1 (0.75) ALDH1A1GPR35TDP1HPGDHIF1A
Alcohol SCHEMBL2355915 0.88 GPR35 (0.55) ALDH1A1GPR35TDP1HPGDHIF1A
Pyrimidine SCHEMBL8012578 0.86 GPR35 (0.49) ALDH1A1GPR35TDP1HPGDHIF1A
SCHEMBL31053016 0.85 GPR35 (0.66) ALDH1A1GPR35TDP1HPGDHIF1A
SCHEMBL9452637 0.85 ALDH1A1 (0.61) ALDH1A1GPR35TDP1HPGDHIF1A

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

Appears in 2155 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119551657-A Preparation method and application of biochar material for adsorbing 2,4, 6-trinitrochlorobenzene 北京大学 2025-03-04 CN claimed
CN-118290423-A 5, 6-Condensed pyrazole triazine and polynitrobenzene compounded high-energy-density material and synthesis method thereof 南京理工大学 2024-07-05 CN claimed
US-20240207381-A1 BIHAPTENIZED AUTOLOGOUS VACCINES AND USES THEREOF BIOVAXYS INC (US) 2024-06-27 US claimed
CN-118084791-A High-energy-density compound based on polynitrobenzene bipyrazole and synthesis method thereof 南京理工大学 2024-05-28 CN claimed
CN-117986570-A Wholly aromatic polyester amide resin and preparation method thereof 中国科学院成都有机化学有限公司 2024-05-07 CN claimed
EP-4329779-A1 BIHAPTENIZED AUTOLOGOUS VACCINES AND USES THEREOF BioVaxys Inc. (US) 2024-03-06 EP claimed
CN-116768731-A Application and preparation method of N-methyl-2, 4, 6-trinitroaniline 西南科技大学 2023-09-19 CN claimed
US-20230149534-A1 HAPTENIZED CORONAVIRUS SPIKE PROTEINS BIOVAXYS LLC 2023-05-18 US claimed
WO-2023060220-A1 METHODS OF IMMUNIZATION AGAINST CORONAVIRUS BioVaxys Inc. (US) 2023-04-13 WO claimed
CN-115916253-A Haptenylated coronavirus spike protein 拜奥维萨公司 2023-04-04 CN claimed
EP-0017513-B2 ELECTROPHOTOGRAPHIC MEMBER AND PROCESS FOR FORMING A LATENT IMAGE RANK XEROX LIMITED (GB) 1986-12-30 EP claimed
US-4529796-A Method for making chromogenic and/or fluorogenic substrates for use in monitoring catalytic or enzymatic activity BAKER INSTRUMENTS CORPORATION (US) 1985-07-16 US claimed
EP-0017513-B1 ELECTROPHOTOGRAPHIC MEMBER AND PROCESS FOR FORMING A LATENT IMAGE RANK XEROX LIMITED (GB) 1983-01-19 EP claimed
EP-0061760-A1 A method for preparing a mononucleotide-3'-phosphodiester-based substrate Baker Instruments Corporation (US) 1982-10-06 EP claimed
US-4315980-A ELECTRON ACCEPTOR ACTIVATORS FUJI XEROX CO., LTD. (JP) 1982-02-16 US claimed
US-4302521-A TRANSPORT PHASE OF A P-TYPE ORGANIC SEMICONDUCTOR, POLYVINYLCARBAZOLE, A LEWIS AND A BRONSTED ACID; CHARGE TRANSFER COMPOUNDS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-11-24 US claimed
EP-0017513-A1 Electrophotographic member and process for forming a latent image RANK XEROX LIMITED (GB) 1980-10-15 EP claimed
US-4175186-A CYCLIZATION OF A NITROHALOBENZENE COMPOUND WITH A DIALKYDITHIOCARBAMIC ACID THE ANSUL COMPANY (US) 1979-11-20 US claimed
US-4129554-A PICRIC ACID, QUINONE, CHLORANIL, CYANOACETATE ESTER HITACHI CHEMICAL CO., LTD. (JP) 1978-12-12 US claimed
US-3941853-A HIGH ENERGY EXPLOSIVE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1976-03-02 US claimed