SCHEMBL7795693

SCHEMBL7795693

CC(O)N(c1ccccc1)C(C)C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ALOX5 P09917 1/20 0.34
ESR1 P03372 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 4/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.32
MAOB P27338 1/20 0.32
AOC3 Q16853 1/20 0.32
ADRA2A P08913 1/20 0.31

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
SCHEMBL2323984 0.88 TSHR (0.37) TSHRPOLBALOX5ESR1ALDH1A1
SCHEMBL11741578 0.81 AOC3 (0.40) TSHRPOLBAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL9300163 0.81 SLC6A2 (0.35) ALDH1A1
SCHEMBL104211 0.81 POLB (0.44) POLBAPOBEC3AAPOBEC3GALOX5ESR1
SCHEMBL11578770 0.81 LMNA (0.33) TSHRESR1ALDH1A1LMNAMAPT
SCHEMBL11800236 0.80 ALDH1A1 (0.37) TSHRPOLBALOX5ESR1ALDH1A1
SCHEMBL11581170 0.80 HTR3E (0.41) TSHRALDH1A1MAPTNPSR1MEN1
SCHEMBL11325812 0.79 ALOX5 (0.41) TSHRPOLBALOX5ALDH1A1KDM4E
SCHEMBL10795134 0.78 ESR1 (0.40) TSHRPOLBESR1ALDH1A1KDM4E
SCHEMBL11780696 0.77 POLB (0.42) POLBAPOBEC3AAPOBEC3GALOX5ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113444019-A Preparation method of N-cyanoethyl-N-acetoxyethylaniline 浙江闰土染料有限公司 2021-09-28 CN claimed
CN-108727900-B Disperse dye ink with good storage stability and redispersibility and preparation method thereof 扬州日兴生物科技股份有限公司 2021-09-24 CN claimed
CN-115044225-B Fluorine-containing alkali-resistant disperse dye with high wet processing fastness and preparation method thereof 南通大学 2024-07-30 CN disclosed
CN-117732417-A Continuous production system and process of N-cyanoethyl-N-acetoxyethyl aniline 浙江迪邦化工有限公司 2024-03-22 CN disclosed
CN-115044225-A Fluorine-containing alkali-resistant disperse dye with high wet processing fastness and preparation method thereof 南通大学 2022-09-13 CN disclosed
CN-113444019-A Preparation method of N-cyanoethyl-N-acetoxyethylaniline 浙江闰土染料有限公司 2021-09-28 CN disclosed
CN-108727900-B Disperse dye ink with good storage stability and redispersibility and preparation method thereof 扬州日兴生物科技股份有限公司 2021-09-24 CN disclosed
CN-105111101-B Method for preparing N-cyanoethyl-N-ethoxylaniline by using ionic liquid 河南省科学院高新技术研究中心 2017-01-18 CN disclosed
EP-1099729-A2 Mixtures of dispersive monoazo dyestuffs DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-05-16 EP disclosed
US-4500715-A CHEMICAL INTERMEDIATES FOR PLANT SAFENING AGENTS AND DYES BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
EP-0052266-B1 MONOAZO DYESTUFFS, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1984-07-11 EP disclosed
US-4083847-A Transiently water-soluble disperse mono-azo dyes containing a diamino-methylene-carbacyl group CIBA-GEIGY CORPORATION (US) 1978-04-11 US disclosed
US-4039529-A Cycloaliphatic dicarbonyl containing azo dyestuffs CIBA-GEIGY AG (CH) 1977-08-02 US disclosed
US-4036824-A Disazo dyestuffs containing A-O-alkylene-O-SO3 H group BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-4022763-A Sulfaphenyl-azo-phenyl-azo-aminophenyl dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-3987026-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1976-10-19 US disclosed
US-3978039-A POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-24 US disclosed
US-3971771-A DYES FOR POLYESTERS CIBA-GEIGY AG (CH) 1976-07-27 US disclosed
US-3971740-A DYES FOR POLYESTER FIBERS CIBA-GEIGY AG (CH) 1976-07-27 US disclosed
US-3933786-A Heterocyclic-azo-phenyl compounds containing a styrl group CIBA-GEIGY AG (CH) 1976-01-20 US disclosed