Dinitrophenylene

Dinitrophenylene

SCHEMBL8975758

O=S(=O)(Cl)Cl.O=[N+]([O-])c1cccc([N+](=O)[O-])c1

nearest known ligand 0.77

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.77
LMNA P02545 3/20 0.77
KMT2A Q03164 2/20 0.64
GAA P10253 1/20 0.64
HTT P42858 1/20 0.64
ALDH1A1 P00352 5/20 0.63
TDP1 Q9NUW8 1/20 0.63
CA2 P00918 2/20 0.60
CA5A P35218 1/20 0.60
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
ACHE P22303 1/20 0.57
ALOX15 P16050 1/20 0.57
HSP90AA1 P07900 1/20 0.55
CA1 P00915 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55

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
Dinitrophenylene SCHEMBL28055356 0.98 TSHR (0.74) TSHRLMNAKMT2AGAAHTT
Dinitrophenylene SCHEMBL9798067 0.91 TSHR (0.71) TSHRLMNAKMT2AGAAHTT
Dinitrophenylene SCHEMBL29291896 0.88 TSHR (1.00) TSHRLMNAKMT2AGAAHTT
Dinitrophenylene SCHEMBL36632 0.88 TSHR (1.00) TSHRLMNAKMT2AGAAHTT
SCHEMBL27285615 0.88 ALDH1A1 (0.85) TSHRLMNAKMT2AGAAHTT
Dinitrophenylene SCHEMBL34066 0.86 TSHR (0.77) TSHRLMNAKMT2AGAAHTT
Dinitrophenylene SCHEMBL27729739 0.86 TSHR (0.77) TSHRLMNAKMT2AGAAHTT
Dinitrophenylene SCHEMBL27624439 0.86 TSHR (0.77) TSHRLMNAKMT2AGAAHTT
SCHEMBL6543155 0.86 TSHR (0.81) TSHRLMNAKMT2AGAAHTT
SCHEMBL6597968 0.86 TSHR (0.57) TSHRLMNAKMT2AGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113278001-B Near-infrared selenocysteine fluorescent probe and preparation method and application thereof 中南大学 2024-04-05 CN claimed
CN-115894427-B Near-infrared frequency up-conversion fluorescent probe, preparation method thereof and application thereof in detection of biological mercaptan 赣南师范大学 2024-02-06 CN claimed
CN-114539183-B Lipid-droplet targeting and biological thiol-sensitive fluorescent probe for cancer cell tissue diagnosis and preparation and application thereof 吉林化工学院 2023-07-21 CN claimed
CN-113667114-B SO with main chain capable of being eliminated 2 Preparation method and application of nano prodrug 北京大学深圳医院 2023-07-14 CN claimed
CN-115160349-A Near-infrared fluorescent probe for detecting selenocysteine and preparation method and application thereof 中国药科大学 2022-10-11 CN claimed
CN-113292479-B Preparation method of 5-azaspiro [2.4] heptane and salt thereof 南京合巨药业有限公司 2022-07-01 CN claimed
CN-114539183-A Lipid drop targeting and biological thiol sensitive fluorescent probe for cancer cell tissue diagnosis, preparation and application 吉林化工学院 2022-05-27 CN claimed
WO-2022035405-A1 A DRUG AND SYNTHESIS OF THE DRUG TO TREAT HIGH BLOOD PRESSURE AND TYPE 2 DIABETES MELLITUS DISEASE GAZIANTEP UNIVERSITESI REKTORLUGU (TR) 2022-02-17 WO claimed
CN-113943261-A N-carboxyanhydride, preparation method and application thereof 中国科学院长春应用化学研究所 2022-01-18 CN claimed
CN-113880778-A Method for preparing 6-amino-5-nitroquinoxaline 安徽皓元药业有限公司 2022-01-04 CN claimed
CN-112745247-A Novel dye intermediate, novel dye and preparation method thereof 湖北丽源科技股份有限公司 2021-05-04 CN claimed
CN-107915705-B Dithiothreitol fluorescent probe 济南大学 2021-04-30 CN claimed
CN-111875561-A Naphthalene derivative two-photon probe for specifically recognizing selenocysteine and preparation and application thereof 中南林业科技大学 2020-11-03 CN claimed
CN-107823184-B Preparation method and application of redox sensitive induced pH response nano-drug carrier 中国医学科学院生物医学工程研究所 2020-10-23 CN claimed
CN-109516987-B Preparation method of avibactam intermediate 江西富祥药业股份有限公司 2020-07-24 CN claimed
CN-109678763-B Near-infrared biological thiol fluorescent probe and preparation method and application thereof 华南理工大学 2020-05-08 CN claimed
CN-107721888-B Oxidation-reduction induced pH response type methacrylate fluorine-containing monomer, and synthesis method and application thereof 中国医学科学院生物医学工程研究所 2020-04-21 CN claimed
CN-109678763-A A kind of near-infrared biological thiol fluorescence probe and its preparation method and application 华南理工大学 2019-04-26 CN claimed
CN-104560027-B A kind of fluorescent probe distinguishing detection biological thiol and preparation method thereof 中国科学技术大学 2016-08-24 CN claimed
CN-104370848-A Method for synthesizing sulfuric ion fluorescent probe with hydroxyl Nile red as parent body and application of sulfuric ion fluorescent probe UNIV HUNAN SCI & TECHNOLOGY 2015-02-25 CN claimed