SCHEMBL2313

SCHEMBL2313

Cc1ccc([N+](=O)[O-])cc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 1.00
TSHR P16473 5/20 1.00
ALDH1A1 P00352 8/20 0.74
TDP1 Q9NUW8 6/20 0.74
GAA P10253 1/20 0.60
THRB P10828 1/20 0.60
HTT P42858 1/20 0.56
ALOX15 P16050 2/20 0.55
ACHE P22303 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PDE2A O00408 1/20 0.50
PDE5A O76074 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
PDE4A P27815 1/20 0.50
BLM P54132 1/20 0.50
PDE1B Q01064 1/20 0.50
PMP22 Q01453 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL4437873 1.00 CYP3A4 (1.00) CYP3A4TSHRALDH1A1TDP1GAA
Hydrochloric Acid SCHEMBL27699078 0.98 CYP3A4 (0.96) CYP3A4TSHRALDH1A1TDP1GAA
Water SCHEMBL7777064 0.98 CYP3A4 (0.96) CYP3A4TSHRALDH1A1TDP1GAA
Aniline SCHEMBL22169148 0.89 CYP3A4 (0.80) CYP3A4TSHRALDH1A1TDP1GAA
Guanidine SCHEMBL1644175 0.88 CYP3A4 (0.77) CYP3A4TSHRALDH1A1TDP1GAA
SCHEMBL13138664 0.86 TSHR (0.76) CYP3A4TSHRALDH1A1TDP1GAA
SCHEMBL85646 0.85 ALDH1A1 (1.00) CYP3A4TSHRALDH1A1TDP1GAA
SCHEMBL29116826 0.84 CYP3A4 (0.71) CYP3A4TSHRALDH1A1TDP1GAA
Hydrochloric Acid SCHEMBL8873960 0.83 ALDH1A1 (0.96) CYP3A4TSHRALDH1A1TDP1GAA
SCHEMBL11855244 0.83 TSHR (0.69) CYP3A4TSHRALDH1A1TDP1GAA

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 1829 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN claimed
CN-119335105-A Method for determining azo dye and isocyanate harmful substances in textile 深圳市艾溹技术研究有限公司 2025-01-21 CN claimed
EP-4479481-A1 PIGMENT INK DISPERSIONS, TATTOO INKS CONTAINING THE PIGMENT INK DISPERSIONS, AND METHOD OF MAKING THE SAME Intenze Products, Inc. (US) 2024-12-25 EP claimed
CN-119032141-A Pigment ink dispersion, tattoo ink comprising the pigment ink dispersion and method for the production thereof 银单丝产品公司 2024-11-26 CN claimed
CN-115851134-B High-precision silicon wafer polishing composition and application thereof 万华化学集团电子材料有限公司 2024-09-10 CN claimed
CN-115850100-B Preparation method of 2-amino-4-nitrobenzoic acid 武汉强丰新特科技有限公司 2024-07-02 CN claimed
CN-118050456-A Ultrasonic atomization-carbon fiber ionization mass spectrum detection method for aromatic amine 湖南中烟工业有限责任公司 2024-05-17 CN claimed
CN-114755316-B Method for screening dangerous substances in food contact material and application 广州质量监督检测研究院 2024-02-27 CN claimed
CN-114478262-B Continuous flow high-efficiency production method of 2-amino-4-nitrotoluene 常州大学 2024-01-23 CN claimed
CN-114790154-B Preparation method of antitumor drug imatinib intermediate (2-methyl-5-nitrophenyl) guanidine nitrate 福建南方制药股份有限公司 2023-12-08 CN claimed
US-4368054-A Compositions of nitro-anilines for producing azo dyes on fibers HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-11 US claimed
EP-0057418-A1 Nitro-aniline preparations HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-11 EP claimed
EP-0000815-B1 PROCESS FOR PREPARING N-ARYL OR N-ARALKYL SUBSTITUTED URETHANES MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-01-27 EP claimed
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US claimed
US-4178455-A FROM AROMATIC NITRO COMPOUND, ALCOHOL AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-12-11 US claimed
US-4150055-A Reduction and desulfonation of 2,4- and 2,6- dinitrobenzenesulfonates, which may contain a methyl group in the 5-position, to primary amino compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-04-17 US claimed
EP-0000815-A1 Process for preparing N-aryl or N-aralkyl substituted urethanes MITSUI TOATSU CHEMICALS, Inc. (JP) 1979-02-21 EP claimed
US-4096333-A NITROSATION OF A 2-METHYLACETANILIDE TENNECO CHEMICALS, INC. (US) 1978-06-20 US claimed
US-4080365-A Process for preparing aromatic urethanes MITSUI TOATSU CHEMICALS (JA) 1978-03-21 US claimed
US-3944553-A Bis quinoline peri acids TRW INC. (US) 1976-03-16 US claimed