SCHEMBL57166

SCHEMBL57166

O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 1.00
ALDH1A1 P00352 5/20 0.74
CTSB P07858 1/20 0.61
GPR35 Q9HC97 2/20 0.61
POLB P06746 1/20 0.61
NCOA1 Q15788 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
GAA P10253 1/20 0.60
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TSHR P16473 2/20 0.54
NOS1 P29475 1/20 0.53
S100A4 P26447 1/20 0.52
PARP1 P09874 1/20 0.52

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
SCHEMBL29475175 1.00 TDP1 (1.00) TDP1ALDH1A1CTSBGPR35POLB
SCHEMBL28093598 0.97 TDP1 (0.95) TDP1ALDH1A1CTSBGPR35POLB
Methyl Alcohol SCHEMBL28304524 0.93 TDP1 (0.86) TDP1ALDH1A1CTSBGPR35POLB
SCHEMBL7788656 0.89 TDP1 (0.80) TDP1ALDH1A1CTSBPOLBNCOA1
SCHEMBL28158963 0.89 ALDH1A1 (0.96) TDP1ALDH1A1CTSBGPR35POLB
SCHEMBL2963038 0.87 TDP1 (0.75) TDP1ALDH1A1CTSBGPR35POLB
SCHEMBL3193192 0.87 TDP1 (0.75) TDP1ALDH1A1CTSBGPR35POLB
SCHEMBL5907199 0.87 TDP1 (0.75) TDP1ALDH1A1CTSBGPR35POLB
SCHEMBL5728848 0.87 TDP1 (0.75) TDP1ALDH1A1CTSBGPR35POLB
SCHEMBL1126918 0.87 TDP1 (0.75) TDP1ALDH1A1CTSBGPR35POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024164689-A1 METHOD FOR PREPARING LITHIUM-ION BATTERY AND APPLICATION THEREOF 湖北亿纬动力有限公司 2024-08-15 WO claimed
CN-118255668-A Process method for producing 1, 5-dinitronaphthalene and 1, 8-dinitronaphthalene by continuous nitration 沈阳化工研究院有限公司 2024-06-28 CN claimed
WO-2023027630-A9 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-07-27 WO claimed
CN-116130782-A Method for preparing lithium ion battery and application 湖北亿纬动力有限公司 2023-05-16 CN claimed
WO-2023027630-A2 A FLOW REACTOR, METHODS OF FABRICATION AND REACTIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-03-02 WO claimed
CN-115057783-A Method for separating 1, 5-diaminonaphthalene and 1, 8-diaminonaphthalene 宁夏瑞泰科技股份有限公司 2022-09-16 CN claimed
CN-106238099-B The preparation method and application of 1,5- dinitronaphthalene hydrogenation catalyst 常州大学 2019-07-09 CN claimed
CN-105749954-B A kind of no catalytic hydrogenation and its application for being catalyzed 1,5- dinitronaphthalene hydrogenation reactions 湘潭大学 2018-07-20 CN claimed
CN-105566628-B A kind of preparation method of the penylene naphtho- Sulfadiazine Compound polymer of 2,5 dihydroxy 1,4 and its fiber 哈尔滨工业大学 2017-10-20 CN claimed
CN-106977406-A The method of continuous autoclave catalytic hydrogenation synthesizing amino naphthalene 江苏华达化工集团有限公司 2017-07-25 CN claimed
CN-1194972-A Process for preparing 1,5-dinitro naphthalene and 1,8-dinitro naphthalene UNIV SHENYANG POLYTECHNIC (CN) 1998-10-07 CN claimed
US-5663030-A A PHENYL OR NORBORNANE DERIVATIVE AS AN ADDITIVE TO REDUCE HEAT AND ENERGY REQUIRED TO FUSE THE TONER AND TO REDUCE JAMMING OF THE EQUIPMENT XEROX CORPORATION (US) 1997-09-02 US claimed
US-5484627-A Method for manufacturing liquid crystal display device SAMSUNG ELECTRONICS CO., LTD. (KR) 1996-01-16 US claimed
US-4620916-A Degradation retardants for electrophoretic display devices EPID, INC. 1986-11-04 US claimed
EP-0029460-B1 PROCESS FOR PREPARING AROMATIC URETHANE MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-12-29 EP claimed
EP-0029460-A1 PROCESS FOR PREPARING AROMATIC URETHANE MITSUI TOATSU CHEMICALS, Inc. (JP) 1981-06-03 EP claimed
US-4264695-A LAMINATED ELECTROCONDUCTIVE SUPPORTS RICOH CO., LTD. (JP) 1981-04-28 US claimed
US-4178455-A FROM AROMATIC NITRO COMPOUND, ALCOHOL AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-12-11 US claimed
US-4053526-A PROCESS FOR ISOLATING DINITRONAPHTHALENES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US claimed
US-3993685-A Process for the production of urethanes ATLANTIC RICHFIELD COMPANY (US) 1976-11-23 US claimed