SCHEMBL7420416

SCHEMBL7420416

COC(=O)C(C)N=Cc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.49
NOS3 P29474 2/20 0.49
NOS1 P29475 2/20 0.49
MIF P14174 6/20 0.49
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6992245 1.00 NOS2 (0.49) NOS2NOS3NOS1MIFRECQL
SCHEMBL7420415 1.00 NOS2 (0.49) NOS2NOS3NOS1MIFRECQL
SCHEMBL6992247 1.00 NOS2 (0.49) NOS2NOS3NOS1MIFRECQL
SCHEMBL9079735 0.84 MAPT (0.44) NOS2NOS3NOS1MIFLMNA
SCHEMBL22854418 0.84 NOS3 (0.41) NOS2NOS3NOS1MIFKMT2A
SCHEMBL9079738 0.84 MAPT (0.44) NOS2NOS3NOS1MIFLMNA
SCHEMBL29033185 0.84 MAPT (0.44) NOS2NOS3NOS1MIFLMNA
SCHEMBL13664199 0.84 MAPT (0.44) NOS2NOS3NOS1MIFLMNA
SCHEMBL8363737 0.84 NOS2 (0.47) NOS2NOS3NOS1MIFRECQL
SCHEMBL28462081 0.84 NOS2 (0.47) NOS2NOS3NOS1MIFRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110577485-B Norcamphor derived [2, 1] -bridged ring ketene compounds and synthesis method and application thereof 武汉大学 2022-11-04 CN disclosed
CN-114940661-A Norcamphor derived [2,2,1] -bridged ketene compounds and synthesis method and application thereof 武汉大学 2022-08-26 CN disclosed
CN-110669046-B Polysubstituted tetrahydro-gamma-carboline derivative with multiple chiral centers and preparation method of stereo diversity of polysubstituted tetrahydro-gamma-carboline derivative 武汉大学 2021-07-06 CN disclosed
CN-110669046-A Polysubstituted tetrahydro-gamma-carboline derivative with multiple chiral centers and preparation method of stereo diversity of polysubstituted tetrahydro-gamma-carboline derivative 武汉大学 2020-01-10 CN disclosed
CN-110577485-A Norcamphor derived [2,2,1] -bridged ketene compounds and synthesis method and application thereof 武汉大学 2019-12-17 CN disclosed
EP-0801648-A4 SUBSTITUTED 2-ARYLCARBONYLOXYMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP INC (US) 1998-01-28 EP disclosed
EP-0801648-A1 SUBSTITUTED 2-ARYLCARBONYLOXYMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-10-22 EP disclosed
US-5556909-A PROTEOLYTIC ENZYME INHIBITOR, TREATMENT OF DEGENERATIVE DISEASES, SUCH AS EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI WINTHROP INC. (US) 1996-09-17 US disclosed
WO-1996016951-A1 SUBSTITUTED 2-ARYLCARBONYLOXYMETHYL-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-06-06 WO disclosed