SCHEMBL2065172

SCHEMBL2065172

O=C1OCCN1CCC=S

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
PIK3CD O00329 2/20 0.37
NQO2 P16083 1/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SCN9A Q15858 1/20 0.32
PER2 O15055 1/20 0.32
CRY2 Q49AN0 1/20 0.32
GRM2 Q14416 1/20 0.32
LRRK2 Q5S007 2/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
PDK2 Q15119 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
SCHEMBL8903181 0.89 KDM4E (0.43) KDM4EPIK3CDNQO2CNR1CNR2
SCHEMBL29954446 0.82 KDM4E (0.46) KDM4EPIK3CDNQO2CNR1CNR2
SCHEMBL4439323 0.81 KDM4E (0.45) KDM4EPIK3CDNQO2CNR1CNR2
SCHEMBL1712876 0.79
SCHEMBL6284243 0.74 ALDH1A1 (0.41) KDM4E
SCHEMBL7625881 0.74
SCHEMBL16373804 0.74
SCHEMBL20105 0.74
SCHEMBL2037199 0.74
SCHEMBL510010 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295329-A1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES SHOW IMPROVED CATALYTIC ACTIVITY AND CHIRAL SELECTIVITY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-11-22 US claimed
US-20120156721-A1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES SHOW IMPROVED CATALYTIC ACTIVITY AND CHIRAL SELECTIVITY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 US claimed
US-20090075329-A1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES SHOW IMPROVED CATALYTIC ACTIVITY AND CHIRAL SELECTIVITY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2009-03-19 US claimed
US-20050282248-A1 Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity JONES JOHN B 2005-12-22 US claimed
EP-1129180-A2 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES GENENCOR INTERNATIONAL, INC. (US) 2001-09-05 EP claimed
WO-2000028007-A2 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES GENENCOR INTERNATIONAL, INC. (US) 2000-05-18 WO claimed
US-8357524-B2 Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity DANISCO US INC. (US) 2013-01-22 US disclosed
US-20120295329-A1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES SHOW IMPROVED CATALYTIC ACTIVITY AND CHIRAL SELECTIVITY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-11-22 US disclosed
US-20120156721-A1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES SHOW IMPROVED CATALYTIC ACTIVITY AND CHIRAL SELECTIVITY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 US disclosed
US-8148128-B2 Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-04-03 US disclosed
US-20090075329-A1 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES SHOW IMPROVED CATALYTIC ACTIVITY AND CHIRAL SELECTIVITY THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2009-03-19 US disclosed
US-20050282248-A1 Chemically modified mutant serine hydrolases show improved catalytic activity and chiral selectivity JONES JOHN B 2005-12-22 US disclosed
EP-1129180-A2 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES GENENCOR INTERNATIONAL, INC. (US) 2001-09-05 EP disclosed
WO-2000028007-A2 CHEMICALLY MODIFIED MUTANT SERINE HYDROLASES GENENCOR INTERNATIONAL, INC. (US) 2000-05-18 WO disclosed