SCHEMBL204041

SCHEMBL204041

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
MAPT P10636 4/20 0.61
HTT P42858 2/20 0.61
GAA P10253 1/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 2/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 2/20 0.55
PKM P14618 2/20 0.54
KDM4E B2RXH2 1/20 0.54
G6PD P11413 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
APOBEC3G Q9HC16 1/20 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
SCHEMBL27774544 1.00 ALDH1A1 (0.61) ALDH1A1MAPTHTTGAAHPGD
Nitrogen SCHEMBL28840099 0.96 ALDH1A1 (0.58) ALDH1A1MAPTHTTGAAHPGD
2-Nitroaniline SCHEMBL5767629 0.92 ALDH1A1 (0.54) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL3489531 0.90 ALDH1A1 (0.59) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL7037581 0.89 MAPT (0.68) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL3181169 0.88 TSHR (0.54) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL7032412 0.87 MAPT (0.50) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL717794 0.86 MAPT (0.71) ALDH1A1MAPTHTTGAAHPGD
Acetoacetic Acid SCHEMBL11820097 0.85 SMN1; SMN2 (0.55) ALDH1A1MAPTHTTGAAHPGD
SCHEMBL313815 0.85 MAPT (0.68) ALDH1A1MAPTHTTGAAHPGD

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 1479 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912456-A Preparation method of quinoxaline derivative based on heterogeneous catalytic system 陕西科技大学 2025-05-02 CN claimed
CN-117777029-A Production method of omeprazole pharmaceutical intermediate 2-mercapto-5-methoxybenzimidazole 上海卓鼎生物技术有限公司 2024-03-29 CN claimed
CN-111704555-B Method for synthesizing 4-methoxy-2-nitroaniline by adopting continuous flow reactor 爱斯特(成都)生物制药股份有限公司 2023-08-01 CN claimed
CN-114213261-B Preparation method of 4-methoxy-2-nitroaniline 山东第一医科大学(山东省医学科学院) 2023-05-05 CN claimed
CN-115925636-A Method for industrially producing 2-mercapto-5-methoxybenzimidazole 四川奇格曼药业有限公司 2023-04-07 CN claimed
CN-115710190-A 4-methoxy-2-amino-N, N-dimethylaniline, preparation method and application 常州佳德医药科技有限公司 2023-02-24 CN claimed
CN-113219105-B Detection method of 2-nitro-4-methoxyaniline in esomeprazole magnesium and intermediate thereof 珠海润都制药股份有限公司 2023-01-17 CN claimed
CN-113121446-B Method for continuous flow synthesis of 2-mercapto-5-methoxybenzimidazole 爱斯特(成都)生物制药股份有限公司 2022-09-20 CN claimed
CN-114213261-A Preparation method of 4-methoxy-2-nitroaniline 山东第一医科大学(山东省医学科学院) 2022-03-22 CN claimed
CN-111499585-B Quinoxaline derivative and preparation method and application thereof 浙江工业大学 2022-02-22 CN claimed
EP-0485474-A1 A METHOD AND A SYSTEM FOR QUANTITATIVELY MONITORING A CHEMICAL COMPONENT DISSOLVED IN A LIQUID MEDIUM. KOEGE KEMISK VAERK (DK) 1992-05-20 EP claimed
EP-0429614-A1 AZOPHENYL COMPOUNDS. JAMES ROBINSON LTD (GB) 1991-06-05 EP claimed
WO-1991002254-A1 A METHOD AND A SYSTEM FOR QUANTITATIVELY MONITORING A CHEMICAL COMPONENT DISSOLVED IN A LIQUID MEDIUM KEMISK VÆRK KØGE A/S (DK) 1991-02-21 WO claimed
WO-1990015850-A1 AZOPHENYL COMPOUNDS JAMES ROBINSON LIMITED (GB) 1990-12-27 WO claimed
EP-0236215-B1 2,2'-DIFLUORO-4-ALKOXY-4'-HYDROXY BIPHENYLS AND THEIR DERIVATIVES, THEIR PRODUCTION PROCESS AND THEIR USE IN LIQUID CRYSTAL DISPLAY DEVICES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1990-01-10 EP claimed
EP-0292911-A2 Process for the preparation of pure nitro-aminobenzene-compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-30 EP claimed
EP-0079303-B1 STABILIZED COVERING FORM OF CI PIGMENT YELLOW 74 CIBA-GEIGY AG (CH) 1986-03-05 EP claimed
US-4491544-A DISPERSE DYES, POLYESTERS, INKS BASF AKTIENGESELLSCHAFT (DE) 1985-01-01 US claimed
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US claimed
US-3941768-A One step diazotization coupling process CIBA-GEIGY AG (CH) 1976-03-02 US claimed