SCHEMBL4063903

SCHEMBL4063903

COc1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 2/20 0.58
MAPT P10636 2/20 0.55
THRB P10828 1/20 0.55
TUBB4A P04350 2/20 0.54
TUBB P07437 2/20 0.54
TUBA3C P0DPH7 2/20 0.54
TUBA1B P68363 2/20 0.54
TUBA4A P68366 2/20 0.54
TUBB4B P68371 2/20 0.54
TUBB3 Q13509 2/20 0.54
TUBB2A Q13885 2/20 0.54
TUBB8 Q3ZCM7 2/20 0.54
TUBA3E Q6PEY2 2/20 0.54
TUBA1A Q71U36 2/20 0.54
TUBA1C Q9BQE3 2/20 0.54
TUBB6 Q9BUF5 2/20 0.54
TUBB2B Q9BVA1 2/20 0.54
TUBB1 Q9H4B7 2/20 0.54

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
SCHEMBL29650091 1.00 ALDH1A1 (0.61) ALDH1A1MAPK1TDP1MAPTTHRB
SCHEMBL28218587 0.98 ALDH1A1 (0.59) ALDH1A1MAPK1TDP1MAPTTHRB
Cyanide SCHEMBL11163252 0.95 ALDH1A1 (0.56) ALDH1A1MAPK1TDP1MAPTTHRB
SCHEMBL27560396 0.92 ALDH1A1 (0.54) ALDH1A1MAPK1TDP1MAPTTHRB
SCHEMBL12312144 0.86 PDGFRB (0.57) ALDH1A1MAPK1TDP1MAPTTUBB4A
SCHEMBL997361 0.86 ALDH1A1 (0.55) ALDH1A1MAPK1TDP1MAPTTHRB
SCHEMBL30686627 0.85 ALDH1A1 (0.58) ALDH1A1MAPK1TDP1MAPTTHRB
SCHEMBL4142866 0.85 ALDH1A1 (0.58) ALDH1A1MAPK1TDP1MAPTTHRB
SCHEMBL11838962 0.84 MAPT (0.60) ALDH1A1MAPK1TDP1MAPTRAB9A
SCHEMBL9035406 0.84 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTTHRBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-218664348-U 4-chlorine-2,5-dimethoxy nitrobenzene automatic discharging device 大名县名鼎化工有限责任公司 2023-03-21 CN claimed
CN-113054253-B Overcharge-proof electrolyte of lithium ion battery 江西格林德能源有限公司 2022-08-12 CN claimed
CN-113054253-A Overcharge-proof electrolyte of lithium ion battery 江西格林德能源有限公司 2021-06-29 CN claimed
CN-108129335-A The preparation method of 2,5- dimethoxyanilines 烟台安诺其精细化工有限公司 2018-06-08 CN claimed
CN-105949069-A Method for continuous hydrogenation production of 4-chloro-2,5-dimethoxyaniline 济南和润化工科技有限公司 2016-09-21 CN claimed
CN-103456982-A Functional electrolyte for improving charge-discharge efficiency of lithium ion battery and application thereof CHINA NAT OFFSHORE OIL CORP 2013-12-18 CN claimed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US claimed
CN-117623931-A Preparation method of safe and environment-friendly mono-nitro aromatic hydrocarbon 清源创新实验室 2024-03-01 CN disclosed
EP-4235873-A1 ACTIVE MATERIAL FOR SECONDARY BATTERIES, ELECTRODE FOR SECONDARY BATTERIES, SECONDARY BATTERY AND FLIGHT VEHICLE SoftBank Corp. (JP) 2023-08-30 EP disclosed
US-20230238534-A1 ACTIVE MATERIAL FOR SECONDARY BATTERIES, ELECTRODE FOR SECONDARY BATTERIES, SECONDARY BATTERY AND FLIGHT VEHICLE NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2023-07-27 US disclosed
US-20230238534-A1 ACTIVE MATERIAL FOR SECONDARY BATTERIES, ELECTRODE FOR SECONDARY BATTERIES, SECONDARY BATTERY AND FLIGHT VEHICLE NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2023-07-27 US disclosed
CN-116323567-A Active material for secondary battery, electrode for secondary battery, and flying object 软银股份有限公司 2023-06-23 CN disclosed
CN-218664348-U 4-chlorine-2,5-dimethoxy nitrobenzene automatic discharging device 大名县名鼎化工有限责任公司 2023-03-21 CN disclosed
EP-0212303-A2 Process for the preparation of aromatic dialkyl amines HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 EP disclosed
US-4581349-A Certain benzodiimidazoles and their use as radiation sensitizers UNIVERSITY OF MARYLAND (US) 1986-04-08 US disclosed
US-4473713-A Hydrolysis of aryl-aliphatic ethers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-25 US disclosed
US-4070391-A Process for producing isocyanate from nitro compounds and carbon monoxide using rhodium oxide catalysts ETHYL CORPORATION (US) 1978-01-24 US disclosed
US-4052437-A PROCESS FOR PRODUCING URETHANE FROM NITRO COMPOUNDS, HYDROXYL COMPOUNDS AND CARBON MONOXIDE USING RHODIUM OXIDE CATALYSTS ETHYL CORPORATION (US) 1977-10-04 US disclosed
US-3970460-A Diazotype composition MULTITEC AG (CH) 1976-07-20 US disclosed
US-3956360-A REACTING HYDROXY COMPOUND WITH CARBON MONOXIDE AND AN ORGANIC COMPOUND ATLANTIC RICHFIELD COMPANY (US) 1976-05-11 US disclosed