SCHEMBL7814969

SCHEMBL7814969

O=C(Cl)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.83
▸ MEN1 O00255 3/20 0.83
▸ KMT2A Q03164 3/20 0.83
▸ TTR P02766 1/20 0.83
▸ PPOX P50336 1/20 0.83
▸ FFAR1 O14842 5/20 0.50
▸ LMNA P02545 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ POLB P06746 2/20 0.47
▸ CCR6 P51684 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ PYGL P06737 1/20 0.43
▸ AKR1B1 P15121 1/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42

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
SCHEMBL30077264 1.00 TDP1 (0.83) TDP1MEN1KMT2ATTRPPOX
1,2-Dichloroethane SCHEMBL28901815 0.96 TDP1 (0.77) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10379343 0.92 TDP1 (0.85) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL29448829 0.91 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL38929 0.91 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL29445767 0.91 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL8028079 0.91 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Acifluorfen SCHEMBL3228873 0.91 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8772377 0.91 TDP1 (0.72) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10852284 0.91 TDP1 (0.69) TDP1MEN1KMT2ATTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 — — CN disclosed
CN-115403488-A Preparation method of fomesafen 江苏联化科技有限公司 2022-11-29 — — CN disclosed
CN-111559965-B Substituted benzoyl compounds and application thereof in agriculture 东莞市东阳光农药研发有限公司 2022-11-18 — — CN disclosed
CN-111559965-A Substituted benzoyl compounds and application thereof in agriculture 东莞市东阳光农药研发有限公司 2020-08-21 — — CN disclosed
CN-102827009-A Study on preparation and application of novel water-oil soluble phenoxybenzoic acid ester derivate UNIV NANKAI 2012-12-19 — — CN disclosed
CN-1597658-A Preparation method of 3-methyl-2-[5-(2-chloro-4-trifluoro methyl phonoxy) -2- nitrobenzoxy]-3-ethyl isocrotonate SHENYANG CHEMICAL INDUSTRY INS (CN) 2005-03-23 — — CN disclosed
EP-1148056-A1 Herbicidal benzoyloxy carboxylates and carboxamides Dow AgroSciences LLC (US) 2001-10-24 — — EP disclosed
US-6251829-B1 PREEMERGENT AND POSTEMERGENT HERBICIDES ROHM AND HAAS COMPANY 2001-06-26 — — US disclosed
US-5883282-A UREA CHEMICAL INTERMEDIATES; RICE AMERICAN CYANAMID COMPANY (US) 1999-03-16 — — US disclosed
US-5763605-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 — — US disclosed
US-4293329-A DIOXOLANYLALKYL ESTER PPG INDUSTRIES, INC. (US) 1981-10-06 — — US disclosed
US-4288243-A HERBICIDES PPG INDUSTRIES, INC. (US) 1981-09-08 — — US disclosed
EP-0034883-A1 2-Nitro-5-(substituted-phenoxy) benzoyl derivatives as herbicides RHONE-POULENC INC. (US) 1981-09-02 — — EP disclosed
EP-0033629-A1 2-Nitro-5-(substituted-phenoxy) benzoate esters of hydroxyalkanoic acids and derivatives thereof as herbicides RHONE-POULENC AGROCHIMIE (FR) 1981-08-12 — — EP disclosed
EP-0028277-A1 Substituted diphenyl ethers, herbicidal compositions containing them and method of combating weeds ROHM AND HAAS COMPANY (US) 1981-05-13 — — EP disclosed
EP-0027837-A1 Substituted diphenyl ethers having utility as herbicides ROHM AND HAAS COMPANY (US) 1981-05-06 — — EP disclosed
EP-0021692-A1 Novel substituted nitrodiphenyl ethers, herbicidal compositions containing them and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1981-01-07 — — EP disclosed
EP-0020052-A1 Novel substituted nitrodiphenyl ethers, herbicidal compositions containing them, processes for the preparation thereof and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1980-12-10 — — EP disclosed
EP-0013660-A1 Aminoalkyl esters of 2-nitro-5-(ortho-chloro-para-trifluoromethylphenoxy)-benzoic acid, their preparation, herbicides containing them as active ingredients, and their use CIBA-GEIGY AG (CH) 1980-07-23 — — EP disclosed
US-4209318-A Herbicidal esters of 4-trifluoromethyl-3-carboxamido-4-nitro diphenyl ethers ROHM AND HAAS COMPANY (US) 1980-06-24 — — US disclosed
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