SCHEMBL833709

SCHEMBL833709

COC(=O)C(N)Cc1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
PTGS2 P35354 1/20 0.32
LTA4H P09960 4/20 0.32
KIF11 P52732 1/20 0.32
CYP3A4 P08684 1/20 0.30
SLC7A5 Q01650 1/20 0.30
MAP3K7 O43318 1/20 0.30
TAB1 Q15750 1/20 0.30

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
SCHEMBL262238 1.00 ALDH1A1 (0.36) ALDH1A1PTGS2LTA4HKIF11CYP3A4
SCHEMBL3846863 1.00 ALDH1A1 (0.36) ALDH1A1PTGS2LTA4HKIF11CYP3A4
Selenium SCHEMBL30525936 0.98 ALDH1A1 (0.35) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL852606 0.98 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL9081237 0.98 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL940526 0.98 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL4389612 0.98 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL1375315 0.98 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL703118 0.98 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
SCHEMBL2824144 0.96 ALDH1A1 (0.34) ALDH1A1PTGS2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684796-A Synthesis method and application of chitosan carnosine derivative 苏州富士莱医药股份有限公司 2024-09-24 CN claimed
CN-118184926-A Amino acid functionalized chiral covalent organic framework material and preparation and application thereof 周口师范学院 2024-06-14 CN claimed
CN-117800861-A Amino acid and derivative ionic liquid thereof, and preparation method and application thereof 中国药科大学 2024-04-02 CN claimed
CN-116143867-A Method for preparing GHK tripeptide and blue copper peptide without condensing agent 上海锐康生物技术研发有限公司 2023-05-23 CN claimed
CN-115944747-A Preparation method and application of polyamino acid coordination cisplatin prodrug nanoparticles 北京化工大学 2023-04-11 CN claimed
CN-115304516-A Compounds with unconventional chromophores, their preparation and use 四川大学 2022-11-08 CN claimed
CN-112920118-A Genipin amino acid derivative and preparation method and application thereof 合肥华方医药科技有限公司 2021-06-08 CN claimed
CN-110200943-B Polyamino acid coordination nanoparticles, preparation method thereof and application of polyamino acid coordination nanoparticles as medicine for sonodynamic tumor treatment 北京化工大学 2021-01-19 CN claimed
CN-110200943-A A kind of polyaminoacid coordination nanoparticle and preparation method thereof and application as the drug in sound power oncotherapy 北京化工大学 2019-09-06 CN claimed
CN-103936724-A Fluorescent probe for detecting histidine and precursors and preparation method of fluorescent probe UNIV EAST CHINA SCIENCE & TECH 2014-07-23 CN claimed
EP-0611774-B1 Production of amides and peptides without racemization in the presence of catalytic amounts of a N-hydroxy-compound HOFFMANN LA ROCHE (CH) 1999-05-26 EP claimed
US-5750649-A REACTING ACID AND AMINE IN PRESENCE OF CARBODIIMIDE DEHYDRATING AGENT AND N-HYDROXY COMPOUND; PEPTIDES HOFFMANN-LA ROCHE INC. (US) 1998-05-12 US claimed
CN-1035873-C Preparation of amides and peptides HOFFMANN LA ROCHE (CH) 1997-09-17 CN claimed
CN-1111237-A Preparation of amides and peptides HOFFMANN LA ROCHE (CH) 1995-11-08 CN claimed
CN-1095069-A Novel process for the preparation and/or purification of clavulanic acid or pharmaceutically acceptable salts or esters thereof SMITHKLINE BEECHAM PLC (GB) 1994-11-16 CN claimed
EP-0069450-B1 LABELLED VITAMIN B12 DERIVATIVES, THEIR PREPARATION AND USE TECHNICON INSTRUMENTS CORPORATION (a New York corporation) (US) 1985-04-10 EP claimed
US-4465775-A Vitamin B12 and labelled derivatives for such assay TECHNICON INSTRUMENTS CORPORATION (US) 1984-08-14 US claimed
EP-0069450-A1 Labelled vitamin B12 derivatives, their preparation and use TECHNICON INSTRUMENTS CORPORATION (a New York corporation) (US) 1983-01-12 EP claimed
US-4337339-A Process for preparation of folic acid derivatives BAKER INSTRUMENTS CORP. (US) 1982-06-29 US claimed
US-4138292-A ENZYMES OR MICROORGANISMS IN A SULFATED POLYSACCHARIDE GEL TANABE SEIYAKU CO., LTD. (JP) 1979-02-06 US claimed