Pentachloronitrobenzene

Pentachloronitrobenzene

SCHEMBL69247

O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
ALDH1A1 P00352 8/20 0.48
TDP1 Q9NUW8 3/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRIN2D O15399 4/20 0.36
GRIN3B O60391 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2B Q13224 4/20 0.36
GRIN2C Q14957 4/20 0.36
GRIN3A Q8TCU5 4/20 0.36
GPR35 Q9HC97 1/20 0.36
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34

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
Pentachloronitrobenzene SCHEMBL18438924 0.97 TSHR (0.59) TSHRALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL9776159 0.97 TSHR (0.59) TSHRALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL10710731 0.97 TSHR (0.65) TSHRALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL4706746 0.93 TSHR (0.55) TSHRALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL2357837 0.90 TSHR (0.52) TSHRALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL11227367 0.90 TSHR (0.59) TSHRALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL3476651 0.90 TSHR (0.65) TSHRALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL10985748 0.88 TSHR (0.56) TSHRALDH1A1TDP1CYP1A2CYP2D6
Pentachloronitrobenzene SCHEMBL8923131 0.87 TSHR (0.50) TSHRALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL11124168 0.87 TSHR (0.50) TSHRALDH1A1TDP1CYP1A2CYP2D6

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 30937 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116731100-B Preparation method for degrading pentachloronitrobenzene pesticide residue protein and microelement regulation and control method JILIN AGRICULTURAL UNIVERSITY (CN) 2026-05-26 CN claimed
CN-120480141-B Vacuum die casting system, high-vacuum die casting method and application Guangdong Xiongjin Precision Casting Technology Co.,Ltd. (CN) 2026-05-26 CN claimed
WO-2026105160-A1 NOVEL AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2026-05-21 WO claimed
US-20260137082-A1 FUNGICIDAL COMPOSITIONS COMPRISING FLUDIOXONIL SYNGENTA CROP PROTECTION AG (CH) 2026-05-21 US claimed
US-20260130877-A1 TREATMENT OF NEURODEVELOPMENTAL DISORDERS THE REGENTS OF THE UNIV OF CALIFORNIA (US) 2026-05-14 US claimed
EP-4710766-A1 MIXTURES OF AMBRUTICIN WITH AT LEAST ONE FURTHER PESTICIDE BASF SE (DE) 2026-03-18 EP claimed
US-20260068884-A1 COMPOSITION USED FOR KILLING FUNGI AND METHOD FOR APPLYING COMPOSITION JIANGSU FLAG CHEMICAL INDUSTRY CO., LTD. (CN) 2026-03-12 US claimed
EP-4114183-B1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2026-02-25 EP claimed
EP-4673434-A1 CANNABINOID CONCENTRATE, METHOD OF OBTAINING THE SAME AND USE THEREOF Herbolea Biotech S.p.A. (IT) 2026-01-07 EP claimed
US-RE50724-E1 4-membered ring carboxamides used as nematicides SYNGENTA CROP PROTECTION AG (CH) 2026-01-06 US claimed
US-4454362-A FROM PENTACHLOROTHIOPHENOL WITH NITRIC AND SULFURIC ACID UNIROYAL, INC. (US) 1984-06-12 US claimed
US-4379144-A Process for producing a flowable fungicide formulation OLIN CORPORATION (US) 1983-04-05 US claimed
US-4378355-A N-(1-N-BUTOXY-2,2,2-TRICHLOROETHYL) SALICYLAMIDE WITH EITHER PENTACHLORONITROBENZENE OR TETRACHLOROISOPHTHALONITRILE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-03-29 US claimed
US-4147732-A NITRATION OF PENTACHLOROBENZENE, SULFURIC ACID OLIN CORPORATION (US) 1979-04-03 US claimed
US-4144050-A Micro granules for pesticides and process for their manufacture HOECHST AKTIENGESELLSCHAFT (DE) 1979-03-13 US claimed
US-4138438-A NITRATION OF PENTACHLOROBENZENE, REACTING EXCESS NITRIC ACID WITH HYDROCHLORIC ACID, BY-PRODUCT INHIBITION OLIN CORPORATION (US) 1979-02-06 US claimed
US-4103081-A POLYACRYLATE MONOMER, FREE RADICAL INITIATOR, ACCELERATOR, NITROBENZENE STABILIZER, CURABLE LOCTITE CORPORATION (US) 1978-07-25 US claimed
US-4057590-A FROM PENTACHLOROBENZENE AND NITRIC ACID OLIN CORPORATION (US) 1977-11-08 US claimed
US-4026955-A Preparation of pentachloronitrobenzene OLIN CORPORATION (US) 1977-05-31 US claimed
US-3984487-A HEATING PENTACHLOROBENZONITRILE IN SULFURIC ACID AND A NITRATING AGENT TEXACO DEVELOPMENT CORPORATION (US) 1976-10-05 US claimed