SCHEMBL6235823

SCHEMBL6235823

CN(C)c1nc2c(s1)Cc1cc(C#N)ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
ADORA1 P30542 13/20 0.44
APP P05067 1/20 0.36
FBP1 P09467 1/20 0.36
PNMT P11086 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
NPC1 O15118 1/20 0.36
TDP2 O95551 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
Bromide SCHEMBL7657024 0.99 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30950987 0.67 PNMT (0.52) PNMTDRD2DRD3
SCHEMBL6014131 0.67 PNMT (0.52) PNMTDRD2DRD3
SCHEMBL11678763 0.63 PNMT (0.47) PNMTDRD2DRD3NPC1ALDH1A1
SCHEMBL16335512 0.62 PNMT (0.43) PNMTDRD2DRD3TDP2LTK
SCHEMBL6739755 0.62
SCHEMBL28439114 0.62 MAOA (0.50) PNMTDRD2DRD3
SCHEMBL2355804 0.60 SMN1; SMN2 (0.53) PNMTDRD2DRD3NPC1ALDH1A1
Bromide SCHEMBL8345546 0.60 PNMT (0.44) PNMTDRD2DRD3
SCHEMBL31441011 0.60 SMN1; SMN2 (0.53) PNMTDRD2DRD3NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157015-B1 USE OF POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS FOR THE MANUFACTURE OF MEDICAMENTS FOR THE TREATMENT OF LIPOMETABOLIC DISORDERS, OBESITAS AND TYP II DIABETES AVENTIS PHARMA GMBH (DE) 2005-05-11 EP disclosed
EP-1173176-B1 UTILIZATION OF POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS IN THE PRODUCTION OF MEDICAMENTS FOR PROPHYLAXIS OR TREATMENT OF OBESITY AVENTIS PHARMA GMBH (DE) 2004-05-26 EP disclosed
EP-1173176-A1 UTILIZATION OF POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS IN THE PRODUCTION OF MEDICAMENTS FOR PROPHYLAXIS OR TREATMENT OF OBESITY Aventis Pharma Deutschland GmbH (DE) 2002-01-23 EP disclosed
EP-1157015-A1 POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS, METHOD FOR THE PRODUCTION THEREOF AND MEDICAMENT CONTAINING SAID COMPOUNDS Aventis Pharma Deutschland GmbH (DE) 2001-11-28 EP disclosed
US-6251922-B1 TREATMENT OF OBESITY AND DIABETES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-26 US disclosed
WO-2000051602-A1 UTILIZATION OF POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS IN THE PRODUCTION OF MEDICAMENTS FOR PROPHYLAXIS OR TREATMENT OF OBESITY AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-09-08 WO disclosed
WO-2000051995-A1 POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS, METHOD FOR THE PRODUCTION THEREOF AND MEDICAMENT CONTAINING SAID COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-09-08 WO disclosed