SCHEMBL5486167

SCHEMBL5486167

CC1(O)C=Nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDK2 Q15119 2/20 0.33

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
SCHEMBL926937 0.77 HTR5A (0.35) HTR5ACASP3RAB9AATMNPSR1
SCHEMBL29639106 0.77 HTR5A (0.35) HTR5ACASP3RAB9AATMNPSR1
SCHEMBL5851114 0.77 ADORA3 (0.35) ADORA3TDP1PDK2
Iodide SCHEMBL29258426 0.76 HTR5A (0.37) HTR5ACASP3RAB9AATMNPSR1
Hydrochloric Acid SCHEMBL30881482 0.76 HTR5A (0.34) HTR5ACASP3RAB9AATMNPSR1
SCHEMBL14575103 0.74 ADORA3 (0.33) ADORA3PDK2
SCHEMBL28422949 0.74 HTR5A (0.33) HTR5A
SCHEMBL3124906 0.74 ADORA3 (0.33) ADORA3PDK2
SCHEMBL5674182 0.74 ADORA3 (0.33) ADORA3PDK2
SCHEMBL28499297 0.72 ADORA3 (0.33) ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108409630-A preparation method of 3-hydroxy-2-indolone derivative in aqueous phase 宁波大学 2018-08-17 CN disclosed
CN-101265259-A Novel IDO inhibitor and its usage method LANKENAU INST MEDICAL RES (US) 2008-09-17 CN disclosed
CN-101265254-A Novel IDO inhibitor and its usage method LANKENAU INST MEDICAL RES (US) 2008-09-17 CN disclosed
EP-1218534-B1 NOVEL ENZYMES AND METABOLITES INVOLVED IN SKATOLE METABOLISM UNIV GUELPH (CA) 2007-07-04 EP disclosed
EP-1218534-B1 NOVEL ENZYMES AND METABOLITES INVOLVED IN SKATOLE METABOLISM UNIV GUELPH (CA) 2007-07-04 EP disclosed
US-7202035-B2 Genetic markers for skatole metabolism UNIVERSITY OF GUELPH (CA) 2007-04-10 US disclosed
US-20070031837-A1 Genetic markers for skatole metabolism UNIVERSITY OF GUELPH (CA) 2007-02-08 US disclosed
US-20060150263-A1 Novel enzymes and metabolites involved in skatole metabolism UNIVERSITY OF GUELPH (CA) 2006-07-06 US disclosed
CN-1795187-A Novel ido inhibitors and methods of use thereof LANKENAU INST MEDICAL RES (US) 2006-06-28 CN disclosed
EP-1623004-A2 GENETIC MARKERS FOR SKATOLE METABOLISM University of Guelph (CA) 2006-02-08 EP disclosed
US-20050216965-A1 Method of detecting and reducing boar taint UNIVERSITY OF GUELPH (CA) 2005-09-29 US disclosed
WO-2005030924-A2 GENETIC MARKERS FOR SKATOLE METABOLISM UNIVERSITY OF GUELPH (CA) 2005-04-07 WO disclosed
US-20040033552-A1 Method of detecting and reducing boar taint UNIVERSITY OF GUELPH (CA) 2004-02-19 US disclosed
US-20030228614-A1 Genetic markers for skatole metabolism UNIVERSITY OF GUELPH (CA) 2003-12-11 US disclosed
US-20020197663-A1 Novel enzymes and metabolites involved in skatole metabolism UNIVERSITY OF GUELPH (CA) 2002-12-26 US disclosed
US-6448028-B1 METHODS TO IDENTIFY AND REDUCE BOAR TAINT, DUE TO HIGH LEVELS OF EITHER THE 16-ANDROSTENE STEROIDS OR SKATOLE IN FAT, BY MEASURING LEVELS OF METABOLITES UNIVERSITY OF GUELPH (CA) 2002-09-10 US disclosed
EP-1218534-A2 NOVEL ENZYMES AND METABOLITES INVOLVED IN SKATOLE METABOLISM University of Guelph (CA) 2002-07-03 EP disclosed
WO-2001023601-A2 NOVEL ENZYMES AND METABOLITES INVOLVED IN SKATOLE METABOLISM UNIVERSITY OF GUELPH (CA) 2001-04-05 WO disclosed