SCHEMBL909587

SCHEMBL909587

Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
CYP3A4 P08684 3/20 1.00
LMNA P02545 1/20 0.58
TDP1 Q9NUW8 6/20 0.53
GPR35 Q9HC97 5/20 0.53
CTSB P07858 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSP90AA1 P07900 1/20 0.50
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 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
SCHEMBL29448460 1.00 ALDH1A1 (1.00) ALDH1A1CYP3A4LMNATDP1GPR35
Bromide SCHEMBL29483842 0.98 ALDH1A1 (0.96) ALDH1A1CYP3A4LMNATDP1GPR35
Nitrogen SCHEMBL27768282 0.96 ALDH1A1 (0.92) ALDH1A1CYP3A4LMNATDP1GPR35
Sulfuric Acid SCHEMBL27811534 0.91 ALDH1A1 (0.83) ALDH1A1CYP3A4LMNATDP1GPR35
SCHEMBL219209 0.89 ALDH1A1 (0.80) ALDH1A1CYP3A4LMNATDP1GPR35
SCHEMBL266593 0.87 ALDH1A1 (0.76) ALDH1A1CYP3A4LMNATDP1GPR35
Nitrogen SCHEMBL28796026 0.85 ALDH1A1 (0.74) ALDH1A1CYP3A4LMNATDP1GPR35
SCHEMBL11349866 0.83 ALDH1A1 (0.71) ALDH1A1CYP3A4LMNATDP1GPR35
SCHEMBL5556376 0.81 ALDH1A1 (0.68) ALDH1A1CYP3A4LMNATDP1GPR35
SCHEMBL2783704 0.81 ALDH1A1 (0.68) ALDH1A1CYP3A4LMNATDP1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118562316-A Nitroazo-containing acid-induced color reactive dye and preparation method and application thereof 青岛理工大学 2024-08-30 CN claimed
CN-118562311-A Nitroazo-containing acid-electrochromic acid dye and preparation method and application thereof 青岛理工大学 2024-08-30 CN claimed
CN-114933818-B Indoline disperse dye and preparation method thereof 绍兴文理学院 2024-01-16 CN claimed
CN-115976677-B Method for preparing colored meta-aramid fiber by adopting reactive stock solution coloring technology 浙江桐昆新材料研究院有限公司 2023-12-22 CN claimed
CN-116987003-A Diazotizing process of 2, 4-binitro-6-haloaniline 江苏盛吉化工有限公司 2023-11-03 CN claimed
CN-114836997-B In-situ coupling color development method of meta-aramid fiber and obtained color development aramid fiber 浙江理工大学 2023-10-31 CN claimed
CN-116478559-A High-concentration continuous coupling preparation method of azo disperse dye 东华大学 2023-07-25 CN claimed
CN-115976677-A Method for preparing colored meta-aramid by adopting reactive stock solution coloring technology 浙江桐昆新材料研究院有限公司 2023-04-18 CN claimed
CN-112500713-B Continuous preparation method of azo disperse dye 浙江龙盛染料化工有限公司 2023-04-14 CN claimed
CN-114933818-A Indoline disperse dye and preparation method thereof 绍兴文理学院 2022-08-23 CN claimed
US-5162511-A Nitrosating and diazotizing reagents and reactions GAMBLIN RODGER L (US) 1992-11-10 US claimed
EP-0489924-A1 THERMALLY STABLE CRYSTAL MODIFICATION OF DYE AND PRODUCTION THEREOF NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-06-17 EP claimed
US-5071443-A BLUE AZO DYESTUFF MIXTURE FOR STRONG BLUE COLOR ON HYDROPHOBIC FIBERS CASSELLA AKTIENGESELLSCHAFT (DE) 1991-12-10 US claimed
EP-0402486-A1 METHOD OF OBTAINING 2-BROMINE-4,6-DINITROANILINE ANDRIEVSKY, Alexandr Mikhailovich (SU) 1990-12-19 EP claimed
EP-0387642-A2 Mixture of dyes CASSELLA Aktiengesellschaft (DE) 1990-09-19 EP claimed
EP-0337948-A1 Disperse dyes CIBA-GEIGY AG (CH) 1989-10-18 EP claimed
EP-0066235-A2 Dye preparations, their manufacturing process and their use in dyeing and printing synthetic-fibre material HOECHST AKTIENGESELLSCHAFT (DE) 1982-12-08 EP claimed
US-4217271-A Basic azo dyestuffs containing a n-picolinium alkylene amino phenyl group IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-08-12 US claimed
US-4113939-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1978-09-12 US claimed
US-4076498-A Dyed polyethylene terephthalate textile fibers with greenish blue shade MARTIN MARIETTA CORPORATION (US) 1978-02-28 US claimed