SCHEMBL5828

SCHEMBL5828

O=[N+]([O-])c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ATM Q13315 1/20 0.56
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 6/20 0.54
HIF1A Q16665 1/20 0.54
VCAM1 P19320 1/20 0.50
GPR35 Q9HC97 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.48
HSPB1 P04792 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL12444133 1.00 TDP1 (0.56) TDP1KMT2AMEN1ATMHSD17B10
SCHEMBL29482305 1.00 TDP1 (0.56) TDP1KMT2AMEN1ATMHSD17B10
SCHEMBL28001936 0.98 TDP1 (0.54) TDP1KMT2AMEN1ATMHSD17B10
Hydrogen Sulfide SCHEMBL28228918 0.98 TDP1 (0.54) TDP1KMT2AMEN1ATMHSD17B10
Nitrogen SCHEMBL11884111 0.95 TDP1 (0.52) TDP1KMT2AMEN1ATMHSD17B10
Ethylene SCHEMBL28393415 0.95 TDP1 (0.52) TDP1KMT2AMEN1ATMHSD17B10
SCHEMBL27561729 0.93 NPC1 (0.52) TDP1KMT2AMEN1ATMHSD17B10
SCHEMBL28077356 0.91 TDP1 (0.48) TDP1KMT2AMEN1ATMHSD17B10
SCHEMBL5161292 0.89 TDP1 (0.47) TDP1KMT2AMEN1ATMHSD17B10
Dimethyl Sulfone SCHEMBL9186077 0.89 KMT2A (0.57) TDP1KMT2AMEN1ATMHSD17B10

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

Appears in 8930 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4549619-A1 PREPARATION OF AMINES BY HYDROGENATION OF NITRO COMPOUNDS USING HYDROGEN WITH LOW DEUTERIUM CONTENT BASF SE (DE) 2025-05-07 EP claimed
CN-119855810-A General method for generating axial chirality through chiral accompaniment strategy and preparing axial chirality aromatic tertiary amine nitroxide ligand compound 中国科学院成都有机化学有限公司 2025-04-18 CN claimed
WO-2025043967-A1 PREPARATION METHOD FOR AND USE OF NANOPOROUS CARBON MATERIAL HAVING CONTINUOUS STRUCTURE 东南大学 2025-03-06 WO claimed
CN-117623951-B Diamine monomer, preparation method of diamine monomer, polyimide and preparation method of polyimide 中山大学 2025-03-04 CN claimed
CN-119462769-A Preparation method and application of bimodal linear polyethylene chromium carbene catalyst 西北大学 2025-02-18 CN claimed
CN-119361832-A Electrolyte additive, electrolyte and lithium ion battery 深圳市豪鹏科技股份有限公司 2025-01-24 CN claimed
CN-119350303-A Organic electroluminescent material containing phenanthrene, preparation method and application thereof, and light-emitting device 安庆飞凯新材料有限公司 2025-01-24 CN claimed
CN-118459363-B Fluorine substituted proliferation cell nuclear antigen inhibitor and preparation method and application thereof 安徽贝克制药股份有限公司 2024-12-17 CN claimed
CN-119143695-A Preparation method and application of pyrene fluorescent probe for detecting copper ions and picric acid in series 哈尔滨理工大学 2024-12-17 CN claimed
CN-113694936-B Copper-silver-gold nano alloy catalyst and preparation method and application thereof 江苏大学 2024-11-15 CN claimed
US-4502995-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-03-05 US claimed
US-4479904-A Reduction of nitroaromatic compounds ETHYL CORPORATION (US) 1984-10-30 US claimed
US-4418229-A DISPLACEMENT OF CHLORONITROBENZENES WITH A FLUORIDE SALT, QUATERNARY AMMONIUM PHASE TRANSFER CATALYSTS MALLINCKRODT, INC. (US) 1983-11-29 US claimed
EP-0078709-A2 Preparation of nitroaralkyl cyanides and derivatives thereof ETHYL CORPORATION (US) 1983-05-11 EP claimed
EP-0077662-A1 Preparation of nitroarylacetic acid esters and derivatives thereof ETHYL CORPORATION (US) 1983-04-27 EP claimed
US-4370278-A Nucleophilic substitution process ETHYL CORPORATION (US) 1983-01-25 US claimed
US-4287374-A Process for the production of fluoronitrobenzenes THE BOOTS COMPANY (GB) 1981-09-01 US claimed
US-4164517-A REACTING A CHLORONITROBENZENE WITH POTASSIUM FLUORIDE IN SULFOLANE I.S.C. CHEMICALS LIMITED (GB) 1979-08-14 US claimed
US-4145364-A PREPARATION OF FLUORINATED ANILINES MERCK & CO., INC. (US) 1979-03-20 US claimed
US-4069262-A Preparation of 2-fluoronitrobenzene E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-01-17 US claimed