SCHEMBL2853083

SCHEMBL2853083

COC(=O)Cn1ccnc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
KDM4E B2RXH2 1/20 0.50
AHR P35869 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
EGLN3 Q9H6Z9 1/20 0.47
CYP19A1 P11511 2/20 0.47
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLAA Q9Y263 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HMOX2 P30519 1/20 0.44

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
SCHEMBL28514477 0.93 ALDH1A1 (0.53) ALDH1A1KDM4EAHRNPSR1EGLN3
SCHEMBL563845 0.81 ALDH1A1 (0.56) ALDH1A1EGLN3CYP19A1
SCHEMBL6262180 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EAHRNPSR1EGLN3
SCHEMBL45903 0.81 EGLN3 (0.62) ALDH1A1EGLN3L3MBTL1
Hydrochloric Acid SCHEMBL27678497 0.80 ALDH1A1 (0.55) ALDH1A1EGLN3CYP19A1ALPG
SCHEMBL4151455 0.80 ALDH1A1 (0.55) ALDH1A1EGLN3CYP19A1ALPIALPG
SCHEMBL27802875 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EEGLN3CYP19A1
SCHEMBL26528214 0.79 TBXAS1 (0.57) ALDH1A1EGLN3L3MBTL1
SCHEMBL31090402 0.79 ALDH1A1 (0.53) ALDH1A1EGLN3CYP19A1HMOX2
SCHEMBL7853678 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EAHRNPSR1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101678011-A Spiro-indolinone compounds MERCK & CO INC 2010-03-24 CN claimed
CN-117757282-A Modified asphalt coiled material with electrosensitive property and preparation method and application thereof 湖南神宇新材料有限公司 2024-03-26 CN disclosed
WO-2023250375-A1 CIRCULAR RNA ENCODING CHIMERIC ANTIGEN RECEPTORS TARGETING BCMA ORNA THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
CN-112574411-B Polyimide precursor, polyimide film, preparation method of polyimide film and display device 武汉柔显科技股份有限公司 2023-06-02 CN disclosed
WO-2023056033-A1 LIPID NANOPARTICLE COMPOSITIONS FOR DELIVERING CIRCULAR POLYNUCLEOTIDES ORNA THERAPEUTICS, INC. (US) 2023-04-06 WO disclosed
WO-2021226597-A2 CIRCULAR RNA COMPOSITIONS AND METHODS ORNA THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
WO-2021189059-A2 CIRCULAR RNA COMPOSITIONS AND METHODS ORNA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
WO-2021113777-A2 CIRCULAR RNA COMPOSITIONS AND METHODS ORNA THERAPEUTICS, INC. (US) 2021-06-10 WO disclosed
EP-3434674-B1 ((4-(2-OXOIMIDAZOLIDINE-1-YL)PYRIMIDIN-2-YL)AMINE DERIVATIVES AS MUTANT IDH INHIBITORS FOR TREATING CANCER SHANGHAI HAIHE PHARMACEUTICAL CO LTD (CN) 2021-02-24 EP disclosed
WO-2021030701-A1 IMPROVED LIPID NANOPARTICLES FOR DELIVERY OF NUCLEIC ACIDS Acuitas Therapeutics, Inc. (CA) 2021-02-18 WO disclosed
US-5869508-A MICROBIOCIDES NIHON BAYER AGROCHEM K.K. (JP) 1999-02-09 US disclosed
US-5849767-A Chloropyridylcarbonyl derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-12-15 US disclosed
CN-1172111-A 1, 2, 3 -benzothiadiazole derivatives BAYER AGROCHEM KK (JP) 1998-02-04 CN disclosed
EP-0816363-A1 1,2,3-Benzothiadiazole derivatives and their use as microbicides NIHON BAYER AGROCHEM K.K. (JP) 1998-01-07 EP disclosed
CN-1147505-A Chloropyridylcarbonylazoles and fungicides for agriculture and horticulture BAYER AGROCHEM KK (JP) 1997-04-16 CN disclosed
EP-0763530-A1 Chloropyridylcarbonyl derivatives and their use as microbiocides NIHON BAYER AGROCHEM K.K. (JP) 1997-03-19 EP disclosed
CN-1126995-A Antiallergic imidazoazepines JANSSEN PHARMACEUTICA NV (BE) 1996-07-17 CN disclosed
EP-0489458-B1 Hydroxyquinolone derivatives MERCK SHARP & DOHME (GB) 1995-06-07 EP disclosed
US-5252584-A Antagonist for treating nervous system disorders MERCK SHARP & DOHME LIMITED (GB) 1993-10-12 US disclosed
EP-0489458-A1 Hydroxyquinolone derivatives MERCK SHARP & DOHME LTD. (GB) 1992-06-10 EP disclosed