SCHEMBL4436078

SCHEMBL4436078

S=C(S)NN1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 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
Thiophene SCHEMBL28219266 0.85 HSD17B10 (0.39) HSD17B10GNAI3GNAO1GNAI1
Pyrrolidine SCHEMBL6513494 0.85 HSD17B10 (0.40) HSD17B10
Piperidine SCHEMBL6509989 0.83 HSD17B10 (0.39) HSD17B10CA2
SCHEMBL22229901 0.82 CA12 (0.41) HSD17B10CA12CA1CA2CA9
SCHEMBL8897918 0.78 GNAI3 (0.38) HSD17B10GNAI3GNAO1GNAI1CA12
SCHEMBL31283176 0.77 ALDH1A1 (0.46) HSD17B10CA12CA1CA2CA9
SCHEMBL221278 0.77
SCHEMBL8897925 0.76 GNAI3 (0.44) HSD17B10GNAI3GNAO1GNAI1CA12
SCHEMBL1132836 0.76 GNAI3 (0.37) HSD17B10GNAI3GNAO1GNAI1CA12
Ammonia Solution, Strong SCHEMBL454175 0.75 ALDH1A1 (0.48) HSD17B10CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925029-B Coumarin-piperazine-dithiocarbamic acid ester hybrid, preparation method and application thereof 宁夏大学 2025-01-28 CN claimed
CN-116925029-A Coumarin-piperazine-dithiocarbamic acid ester hybrid, preparation method and application thereof 宁夏大学 2023-10-24 CN claimed
WO-2020023752-A1 TASK SPECIFIC CHELATING IONIC LIQUIDS FOR REMOVAL OF METAL IONS FROM AQUEOUS SOLUTION VIA LIQUID/LIQUID EXTRACTION AND ELECTROCHEMISTRY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-01-30 WO claimed
JP-62207341-A None JP disclosed
CN-116925029-B Coumarin-piperazine-dithiocarbamic acid ester hybrid, preparation method and application thereof 宁夏大学 2025-01-28 CN disclosed
CN-116925029-A Coumarin-piperazine-dithiocarbamic acid ester hybrid, preparation method and application thereof 宁夏大学 2023-10-24 CN disclosed
CN-114621161-B Rhein-piperazine-dithiocarbamic acid ester hybrid and preparation method and application thereof 宁夏大学 2023-09-19 CN disclosed
CN-112777825-B Method for treating electroplating wastewater 淄博天水新材料有限公司 2022-12-02 CN disclosed
CN-110317171-B 4-dithioformic acid piperazine-1, 8-naphthalimide derivative and preparation method and application thereof 桂林医学院 2022-06-17 CN disclosed
CN-114621161-A Rhein-piperazine-dithiocarbamate hybrid and preparation method and application thereof 宁夏大学 2022-06-14 CN disclosed
CN-114621161-A Rhein-piperazine-dithiocarbamate hybrid and preparation method and application thereof 宁夏大学 2022-06-14 CN disclosed
WO-2008092945-A1 ORGANIC MOLYBDENUM COMPOUNDS AND LUBRICATING COMPOSITIONS COMPRISING SAID COMPOUNDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-08-07 WO disclosed
WO-2008092944-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-08-07 WO disclosed
JP-2006316183-A HEAVY METAL TREATING AGENT AND TREATING METHOD OF HEAVY METAL USING THE SAME TOSOH CORP 2006-11-24 JP disclosed
JP-2004352964-A HEAVY METAL FIXING AGENT AND METHOD FOR TREATING HEAVY METAL-CONTAINING MATERIAL KURITA WATER IND LTD 2004-12-16 JP disclosed
WO-1992010214-A1 METHOD OF RADIOACTIVE LABELLING OF BLOOD CELLS AND KIT THEREFOR MALLINCKRODT MEDICAL, INC. (US) 1992-06-25 WO disclosed
EP-0184179-B1 A VULCANIZATION ACCELERATOR, A MEANS FOR ACCELERATING VULCANIZATION AND AN IMPROVED RUBBER PRODUCT CONTAINING SAID ACCELERATOR THEREIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-24 EP disclosed
JP-S62207341-A VULCANIZATION ACCELERATOR SUMITOMO CHEM CO LTD 1987-09-11 JP disclosed
US-4687756-A DITHIOCARBAMOYL GROUP CONTAINING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-18 US disclosed
EP-0184179-A1 A vulcanization accelerator, a means for accelerating vulcanization and an improved rubber product containing said accelerator therein SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-06-11 EP disclosed