SCHEMBL455272

SCHEMBL455272

Cc1ccc(NC(=S)NN)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.64
MAPT P10636 5/20 0.64
KDM4E B2RXH2 4/20 0.64
GAA P10253 3/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C19 P33261 2/20 0.62
HTT P42858 1/20 0.62
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL455344 0.89 IDO1 (0.78) IDO1MAPTKDM4EGAAMEN1
SCHEMBL1276739 0.86 KMT2A (0.79) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL27920271 0.83 GAA (0.62) IDO1MAPTGAAMEN1KMT2A
SCHEMBL455323 0.80 GAA (0.74) IDO1MAPTKDM4EGAAMEN1
SCHEMBL2590098 0.80 CYP1A2 (0.64) MAPTGAAMEN1KMT2ACYP1A2
SCHEMBL1642748 0.80 IDO1 (0.67) IDO1MAPTKDM4EGAAMEN1
SCHEMBL1882197 0.80 CYP1A2 (0.70) MAPTGAAMEN1KMT2ACYP1A2
SCHEMBL21603930 0.79 MEN1 (0.58) MAPTKDM4EGAAMEN1KMT2A
Methyl Alcohol SCHEMBL28260742 0.78 ALDH1A1 (0.67) IDO1MAPTKDM4EGAAMEN1
SCHEMBL5451731 0.78 ALDH1A1 (0.74) MAPTGAAMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115449136-B Accelerator composition of rubber nanocomposite as well as preparation method and application thereof 浙江大学 2024-02-27 CN claimed
CN-115449136-A Accelerator composition of rubber nanocomposite and preparation method and application thereof 浙江大学 2022-12-09 CN claimed
US-8440065-B1 Electrolyte composition, method, and improved apparatus for high speed tin-silver electroplating TECHNIC, INC. (US) 2013-05-14 US claimed
CN-122010896-A Bicyclol derivative, pharmaceutical composition thereof, preparation method and application thereof 中国医学科学院药物研究所 2026-05-12 CN disclosed
CN-114634502-B 3-Aryl substituted thiazolidine-4-ketone-2-methylene hydrazono methylene-1H-indole derivative and preparation method thereof 复旦大学 2024-05-24 CN disclosed
CN-117645560-A Ferulic acid derivative containing amide and preparation method and application thereof 贵州大学 2024-03-05 CN disclosed
CN-115449136-B Accelerator composition of rubber nanocomposite as well as preparation method and application thereof 浙江大学 2024-02-27 CN disclosed
CN-114195691-B Ferulic acid derivative containing amide and preparation method and application thereof 贵州大学 2023-10-20 CN disclosed
CN-113717100-B Preparation method of pefloxacin aldehyde 4-aryl thiosemicarbazide derivative 郑州工业应用技术学院 2023-03-17 CN disclosed
CN-115449136-A Accelerator composition of rubber nanocomposite and preparation method and application thereof 浙江大学 2022-12-09 CN disclosed
CN-114634502-A 3-aryl substituted thiazolidine-4-ketone-2-ylidenehydrazonomethylene-1H-indole derivatives and preparation method thereof 复旦大学 2022-06-17 CN disclosed
WO-2004096781-A1 USE OF DERIVATIVES OF 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE AS INHIBITORS O FTEH ENZYME MYELOPEROXIDASE (MPO) ASTRAZENECA AB (SE) 2004-11-11 WO disclosed
EP-1467977-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. Dr. Reddy's Laboratories Ltd. (IN) 2004-10-20 EP disclosed
WO-2003059894-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. DR.REDDY'S LABORATORIES LTD. (IN) 2003-07-24 WO disclosed
US-6077951-A PRETREATING GLYCOPEPTIDE/GLYCOPROTEIN TO PREVENT BINDING OF FREE CARBOXYL GROUPS TO IMMOBILIZED AMINE GROUPS OR TO PREVENT HYDROLYSIS OF TERMINAL SIALIC ACIDS THEN SUBJECTING TO SOLID-PHASE EDMAN DEGRADATION REDMOND JOHN WILLIAM (AU) 2000-06-20 US disclosed
US-5831077-A REACTING AN AQUEOUS HYDRAINE HYDRATE WITH A REDUCING SUGAR IN PRESENCE OF A BEASE REDMOND JOHN WILLIAM (AU) 1998-11-03 US disclosed
EP-0733056-A4 GLYCOZYLHYDRAZINES, PREPARATION, IMMOBILIZATION AND REACTIONS OF: GLYCOPROTEIN ANALYSIS AND O-GLYCAN REMOVAL UNIV MACQUARIE (AU) 1997-09-17 EP disclosed
EP-0733056-A1 GLYCOZYLHYDRAZINES, PREPARATION, IMMOBILIZATION AND REACTIONS OF: GLYCOPROTEIN ANALYSIS AND O-GLYCAN REMOVAL MACQUARIE UNIVERSITY (AU) 1996-09-25 EP disclosed
WO-1995015969-A1 GLYCOZYLHYDRAZINES, PREPARATION, IMMOBILIZATION AND REACTIONS OF: GLYCOPROTEIN ANALYSIS AND O-GLYCAN REMOVAL MACQUARIE UNIVERSITY (AU) 1995-06-15 WO disclosed
US-3940408-A CORROSION INHIBITORS IN LUBRICANTS TEXACO INC. (US) 1976-02-24 US disclosed