SCHEMBL3698405

SCHEMBL3698405

C[Si](C)(C)CCOCn1cc(C(N)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
KLKB1 P03952 5/20 0.35
ACHE P22303 2/20 0.35
MAPKAPK2 P49137 1/20 0.33
KLK1 P06870 1/20 0.33
LMNA P02545 3/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
DGAT1 O75907 3/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
GFER P55789 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL31173835 0.87 MAPKAPK2 (0.47) NPC1MAPKAPK2MKNK1MKNK2
SCHEMBL17723760 0.87 L3MBTL1 (0.54) NPC1L3MBTL1KLKB1ACHE
SCHEMBL2893669 0.87 L3MBTL1 (0.40) NPC1L3MBTL1KLKB1ACHEKLK1
SCHEMBL28769640 0.85 L3MBTL1 (0.39) NPC1L3MBTL1KLKB1ACHELMNA
SCHEMBL18074418 0.84 L3MBTL1 (0.41) NPC1L3MBTL1KLKB1ACHELMNA
SCHEMBL20271394 0.84 HPGD (0.39) NPC1L3MBTL1KLKB1ACHELMNA
SCHEMBL31639060 0.83 L3MBTL1 (0.37) NPC1L3MBTL1KLKB1ACHELMNA
SCHEMBL31196012 0.83 KLKB1 (0.40) NPC1L3MBTL1KLKB1ACHEKLK1
SCHEMBL27166661 0.83 L3MBTL1 (0.37) NPC1L3MBTL1KLKB1ACHEKLK1
SCHEMBL5928297 0.83 MEN1 (0.39) NPC1L3MBTL1KLKB1LMNADGAT1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4168401-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-04-26 EP disclosed
WO-2022268119-A1 SULFOXIMINE COMPOUND AND USE THEREOF 南京明德新药研发有限公司 2022-12-29 WO disclosed
CN-114685505-A Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-07-01 CN disclosed
CN-110312719-B Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-04-15 CN disclosed
EP-2203429-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2010-07-07 EP disclosed
WO-2009057827-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-07 WO disclosed