SCHEMBL439

SCHEMBL439

O=[N+]([O-])c1ccc(CBr)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.61
CYP2C19 P33261 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TSHR P16473 1/20 0.57
IDO1 P14902 3/20 0.55
GSK3B P49841 1/20 0.53
POLB P06746 1/20 0.53
CYP1A2 P05177 2/20 0.50
ACHE P22303 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2C9 P11712 1/20 0.50
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
AKR1C3 P42330 1/20 0.48
CHRM2 P08172 1/20 0.48
PTPRF P10586 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN11 Q06124 1/20 0.48

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
Phosphine SCHEMBL10925110 0.98 LOXL2 (0.59) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL4619209 0.98 LOXL2 (0.59) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL6488374 0.94 LOXL2 (0.55) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL4686835 0.94 POLB (0.63) LOXL2CYP2C19ALDH1A1TSHRIDO1
4-Nitrotoluene SCHEMBL15387849 0.90 ACHE (0.69) LOXL2CYP2C19ALDH1A1TSHRIDO1
4-Nitroaniline SCHEMBL27990857 0.90 ALDH1A1 (0.69) LOXL2CYP2C19ALDH1A1TSHRIDO1
Benzyl Bromide SCHEMBL27831169 0.89 ALDH1A1 (0.60) LOXL2CYP2C19ALDH1A1TSHRGSK3B
SCHEMBL9587030 0.88 CA1 (0.50) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL11245076 0.88 HSPB1 (0.59) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL413781 0.87 SRD5A2 (0.62) CYP2C19ALDH1A1TSHRGSK3BPOLB

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 6073 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058663-A Near infrared fluorescent probe TM-N2 for detecting nitroreductase with good water solubility, and preparation method and application thereof 陕西理工大学 2025-05-30 CN claimed
US-12305098-B2 Luminescent probe and its preparation method and application EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2025-05-20 US claimed
US-12304917-B1 Pleuromutilin derivative containing a thiazolo[5,4-c]pyridine side chain, and a preparation method and application thereof SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2025-05-20 US claimed
CN-120004899-A Nitroreductase responsive fluorescent probe and preparation method and application thereof 四川大学 2025-05-16 CN claimed
CN-120004787-A Design, synthesis and activity research of in-situ detection nitroreductase fluorescent probe 南京华辉天成生物医药有限公司 2025-05-16 CN claimed
CN-115947912-B Preparation and application of imine porous organic framework material 浙江理工大学 2025-04-25 CN claimed
CN-119841781-A Quinazolinone-triazene compound, and preparation method and application thereof 青岛科技大学 2025-04-18 CN claimed
CN-119823027-A Piperidinyl piperidine modified beta-carboline open ring compound, and preparation method and application thereof 南通大学 2025-04-15 CN claimed
US-12275734-B1 Pleuromutilin onium salt derivative containing a 3H-imidazo[4,5-c]pyridine side chain, and a preparation method and application thereof SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2025-04-15 US claimed
CN-116375643-B Deaconitine derivative and preparation method and application thereof 中国人民解放军海军军医大学 2025-04-01 CN claimed
US-5064956-A Process for preparing mono-n-alkylated polyazamacrocycles THE DOW CHEMICAL COMPANY (US) 1991-11-12 US claimed
CN-1044096-A The method for preparing the alkylating many nitrogen heterocyclic rings of list-N- DOW CHEMICAL CO (US) 1990-07-25 CN claimed
WO-1990007261-A2 PROCESS FOR PREPARING MONO-N-ALKYLATED POLYAZAMACROCYCLES THE DOW CHEMICAL COMPANY (US) 1990-07-12 WO claimed
EP-0374929-A1 Process for preparing mono-n-alkylated polyazamacrocycles THE DOW CHEMICAL COMPANY (US) 1990-06-27 EP claimed
EP-0054917-B1 6- AND 4-SUBSTITUTED-1-AZABICYCLO(3.2.0)HEPTAN-3,7-DIONE-2-CARBOXYLATES MERCK & CO. INC. (US) 1988-03-09 EP claimed
US-4302580-A Process for the production of a cephamycin derivative MEIJI SEIKA KAISHA, LTD. (JP) 1981-11-24 US claimed
US-4257915-A USE IN PHOTOPOLYMERIZATION OF ETHYLENICALLY UNSATURATED MONOMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 US claimed
US-4228096-A BY AMIDATING THEN QUATERNIZING THE DOW CHEMICAL COMPANY (US) 1980-10-14 US claimed
US-3993704-A Para-nitrobenzotribromide process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-11-23 US claimed
US-3984253-A Imaging processes and elements therefor EASTMAN KODAK COMPANY (US) 1976-10-05 US claimed