SCHEMBL2477528

SCHEMBL2477528

N#Cc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.74
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 6/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.49
TRPV4 Q9HBA0 1/20 0.48
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.46
MAPT P10636 2/20 0.46
PDE7A Q13946 1/20 0.45
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
XDH P47989 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL892830 0.85 VCAM1 (1.00) VCAM1HSD17B10ALDH1A1LMNAKMT2A
SCHEMBL5202695 0.83 HSD17B10 (0.62) VCAM1HSD17B10ALDH1A1LMNAKMT2A
SCHEMBL27564016 0.83 VCAM1 (0.57) VCAM1HSD17B10ALDH1A1LMNATRPV4
SCHEMBL73860 0.82 VCAM1 (0.70) VCAM1HSD17B10ALDH1A1LMNAKMT2A
SCHEMBL6942540 0.82 VCAM1 (0.52) VCAM1HSD17B10ALDH1A1LMNAKMT2A
SCHEMBL26215261 0.81 HSD17B10 (0.60) VCAM1HSD17B10ALDH1A1LMNAKMT2A
Fluoride SCHEMBL28259583 0.81 VCAM1 (0.68) VCAM1HSD17B10ALDH1A1LMNAKMT2A
Dinitrophenylene SCHEMBL27564017 0.81 VCAM1 (0.68) VCAM1HSD17B10ALDH1A1LMNAKMT2A
SCHEMBL82629 0.79 VCAM1 (0.66) VCAM1ALDH1A1LMNATSHRMAPT
SCHEMBL361867 0.78 VCAM1 (0.59) VCAM1HSD17B10ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-220371041-U Anisole recovery unit of 2-cyano-5-nitrochlorobenzene ammonolysis 浙江长华科技股份有限公司 2024-01-23 CN claimed
WO-2015022282-A1 NITROGEN-DOPED CARBON NANOTUBES AS HIGH SELECTIVE NOBLE METAL-FREE CATALYSTS FOR HYDROGENATION OF FUNCTIONALIZED NITROAROMATICS BAYER CROPSCIENCE AG (DE) 2015-02-19 WO claimed
EP-2837612-A1 Nitrogen-doped carbon nanotubes as high selective noble metal-free catalysts for hydrogenation of functionalized nitroaromatics Bayer Technology Services GmbH (DE) 2015-02-18 EP claimed
CN-220371041-U Anisole recovery unit of 2-cyano-5-nitrochlorobenzene ammonolysis 浙江长华科技股份有限公司 2024-01-23 CN disclosed
CN-220371041-U Anisole recovery unit of 2-cyano-5-nitrochlorobenzene ammonolysis 浙江长华科技股份有限公司 2024-01-23 CN disclosed
CN-220371041-U Anisole recovery unit of 2-cyano-5-nitrochlorobenzene ammonolysis 浙江长华科技股份有限公司 2024-01-23 CN disclosed
CN-112279845-A Aryl or heteroaryl substituted thiadiazole compounds and antibacterial application thereof 中国医学科学院药物研究所 2021-01-29 CN disclosed
EP-2853532-B1 1,2,4-oxadiazole derivatives as allosteric modulators of metabotropic glutamate receptors belonging to group III INST FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) 2020-12-09 EP disclosed
CN-110981800-A Preparation method of lenvatinib 安徽省诚联医药科技有限公司 2020-04-10 CN disclosed
CN-110981800-A Preparation method of lenvatinib 安徽省诚联医药科技有限公司 2020-04-10 CN disclosed
CN-105008350-B Antiviral compound 弗·哈夫曼-拉罗切有限公司 2018-05-08 CN disclosed
EP-0534317-B1 Process for the preparation of chlorinated and fluorinated benzene compounds by selective nucleophilic fluorodenitration HOECHST AG (DE) 1995-12-27 EP disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed
US-5342903-A Process for the preparation of adducts of epoxides and alcohols CIBA-GEIGY CORPORATION (US) 1994-08-30 US disclosed
EP-0569331-A2 Process for the preparation of addition products CIBA-GEIGY AG (CH) 1993-11-10 EP disclosed
US-5237087-A Reacting benzoic acid derivative having chlorine and nitro substituents with potassium fluoride in dipolar aprotic solvent using phase transfer catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-17 US disclosed
EP-0534317-A1 Process for the preparation of chlorinated and fluorinated benzene compounds by selective nucleophilic fluorodenitration HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-31 EP disclosed
US-4424371-A LIQUID CRYSTALS TIMEX CORPORATION (US) 1984-01-03 US disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 US disclosed
US-4064267-A 2',3,6'-Trichloro-4-cyano-4'-[N-(N'-(o-substituted-benzoyl))-ureido]-diphenyl ether insecticides BAYER AKTIENGESELLSCHAFT (DT) 1977-12-20 US disclosed