SCHEMBL99564

SCHEMBL99564

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

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.61
TSHR P16473 2/20 0.59
IDO1 P14902 2/20 0.55
CYP2C19 P33261 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 1/20 0.55
ALDH1A1 P00352 2/20 0.53
POLB P06746 2/20 0.53
ACHE P22303 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
CYP19A1 P11511 1/20 0.49

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
Methyl Alcohol SCHEMBL28472878 0.94 TSHR (0.57) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL10569272 0.94 POLB (0.63) LOXL2TSHRIDO1CYP2C19CYP1A2
Ethylene Glycol SCHEMBL28337370 0.92 TSHR (0.66) LOXL2TSHRIDO1CYP2C19CYP1A2
(Chloromethyl)Benzene SCHEMBL27395825 0.89 TSHR (0.63) LOXL2TSHRCYP2C19CYP1A2ALDH1A1
SCHEMBL6162081 0.88 HSPB1 (0.59) LOXL2TSHRIDO1ALDH1A1HSD17B10
Ether SCHEMBL28833109 0.87 IDO1 (0.49) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL11805023 0.85 CYP1A2 (0.51) LOXL2TSHRIDO1CYP2C19CYP1A2
Nitrobenzene SCHEMBL11242644 0.85 TSHR (0.69) LOXL2TSHRCYP2C19CYP1A2CYP2C9
SCHEMBL3192905 0.82 TSHR (0.64) LOXL2TSHRIDO1CYP2C19CYP1A2
SCHEMBL27844585 0.82 ALDH1A1 (0.68) LOXL2TSHRALDH1A1ACHEHSD17B10

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 1613 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119569664-B Thiophenol compound and preparation method and application thereof 山东师范大学 2025-04-29 CN claimed
CN-119708044-A Andrographolide derivative containing thiazolidine ketone heterocycle, preparation method and application thereof 西北农林科技大学 2025-03-28 CN claimed
CN-119569664-A Thiophenol compound and preparation method and application thereof 山东师范大学 2025-03-07 CN claimed
CN-116478045-B Method for synthesizing nitrobenzoic acid by one-step oxidation of nitrobenzyl chloride 南昌大学 2025-02-07 CN claimed
CN-118056817-A Industrial synthesis method of GS6207 key intermediate 苏州匠化生物科技有限公司 2024-05-21 CN claimed
CN-117903122-A Preparation method of cefbuperazine Luo Zhina dicyclo ester side chain 杭州善礼生物医药科技有限公司 2024-04-19 CN claimed
CN-115445534-B Device for continuously preparing penicillin G p-nitrobenzyl ester and application thereof 上海应用技术大学 2024-01-26 CN claimed
CN-117147830-B Fluorescent staining solution for detecting specific fungus D-glucan 德州国科医疗科技有限公司 2024-01-12 CN claimed
CN-117229480-A Low-temperature high-strength epoxy resin and synthetic method and application thereof 辽宁师范大学 2023-12-15 CN claimed
CN-114539020-B Preparation method of 1, 5-dibromo-3, 3-difluoropentane 南京迈诺威医药科技有限公司 2023-12-08 CN claimed
EP-0024665-B1 DIISOCYANATES OR MIXTURES OF DIISOCYANATES OF THE DIPHENYL-METHANE SERIES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS A SYNTHESIS COMPONENT TO PRODUCE POLYURETHANE PLASTICS ACCORDING TO THE ISOCYANATE-POLYADDITION PROCESS BAYER AG (DE) 1982-05-05 EP claimed
US-4323645-A Organic halogen compounds for negative-working silver halide emulsions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-04-06 US claimed
EP-0046917-A1 Polyisocyanate mixtures of the diphenylmethane class, as well as their use as synthesis components in the manufacture of polyurethanes by the isocyanate-polyaddition process BAYER AG (DE) 1982-03-10 EP claimed
EP-0045570-A1 Use of organic halogen compounds to reduce or prevent fog in negative-working silver halide emulsions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-10 EP claimed
EP-0044595-A1 Process for the preparation of copolymers of ethylene with at least one other 1-alkene STAMICARBON B.V. (NL) 1982-01-27 EP claimed
US-4257915-A USE IN PHOTOPOLYMERIZATION OF ETHYLENICALLY UNSATURATED MONOMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 US claimed
EP-0024665-A1 Diisocyanates or mixtures of diisocyanates of the diphenyl-methane series, process for their preparation and their use as a synthesis component to produce polyurethane plastics according to the isocyanate-polyaddition process BAYER AG (DE) 1981-03-11 EP claimed
US-4248779-A REACTING CARBONYL SULFIDE WITH A SECONDARY AMINE AND REACTING THE AMINE SALT WITH A HALOHYDROCARBON IHARA CHEMICAL INDUSTRY COMPANY, LIMITED (JP) 1981-02-03 US claimed
US-4051168-A TO FORM FLUOROALKYL AROMATIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-27 US claimed
US-3955982-A HYDROCARBONS, HAL EASTMAN KODAK COMPANY (US) 1976-05-11 US claimed