SCHEMBL4491895

SCHEMBL4491895

CSc1cc(C)nc(SC)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NOS3 P29474 3/20 0.40
NOS2 P35228 3/20 0.40
NOS1 P29475 1/20 0.40
HTT P42858 3/20 0.35
ALDH1A1 P00352 4/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
PAX8 Q06710 1/20 0.33
ATM Q13315 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CRHR1 P34998 1/20 0.32

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
SCHEMBL14093773 0.78 MEN1 (0.46) KMT2AMEN1NOS3NOS2NOS1
SCHEMBL8811811 0.78 POLB (0.39) KMT2AMEN1NOS3NOS2NOS1
SCHEMBL8808060 0.78 MEN1 (0.42) KMT2AMEN1NOS3NOS2NOS1
SCHEMBL22720397 0.75 NOS3 (0.36) KMT2AMEN1NOS3NOS2NOS1
SCHEMBL31124584 0.75 NOS3 (0.36) KMT2AMEN1NOS3NOS2NOS1
SCHEMBL10569631 0.74 ALDH1A1 (0.45) KMT2AMEN1NOS3NOS2NOS1
SCHEMBL6936983 0.72 MEN1 (0.48) KMT2AMEN1HTTALDH1A1POLB
SCHEMBL4983045 0.71 NPSR1 (0.39) KMT2AMEN1NOS3NOS2NOS1
SCHEMBL4989273 0.71 KDM4E (0.47) KMT2AMEN1NOS3NOS2NOS1
SCHEMBL14226577 0.69 KDM4E (0.43) KMT2ANOS3NOS2NOS1ALDH1A1

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003513909-A 2003-04-15 JP claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP claimed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
US-7576203-B2 Method for producing cyclic diamine derivative KOWA CO., LTD. (JP) 2009-08-18 US disclosed
US-7576203-B2 Method for producing cyclic diamine derivative KOWA CO., LTD. (JP) 2009-08-18 US disclosed
US-7576203-B2 Method for producing cyclic diamine derivative KOWA CO., LTD. (JP) 2009-08-18 US disclosed
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-7414066-B2 Amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2008-08-19 US disclosed
US-7393866-B2 Amide compounds and medications containing the same KOWA COMPANY, LTD. (JP) 2008-07-01 US disclosed
WO-1994026738-A1 N'-HETEROCYCLYL-N-BENZOFURANYL UREA DERIVATIVES AND THEIR ANALOGS AS ACAT INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed
EP-0623112-A1 4-ARYL-3-(HETEROARYLUREIDO)-1,2-DIHYDRO-2-OXO-QUINOLINE DERIVATIVES AS ANTIHYPERCHOLESTEROLEMIC AND ANTIATHEROSCLEROTIC AGENTS PFIZER INC. (US) 1994-11-09 EP disclosed
US-5362878-A Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1994-11-08 US disclosed
EP-0609960-A1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER INC. (US) 1994-08-10 EP disclosed
EP-0590094-A1 4-ARYL-3-(HETEROARYLUREIDO)QUINOLINE DERIVATIVES PFIZER INC. (US) 1994-04-06 EP disclosed
WO-1993015058-A1 4-ARYL-3-(HETEROARYLUREIDO)-1,2-DIHYDRO-2-OXO-QUINOLINE DERIVATIVES AS ANTIHYPERCHOLESTEROLEMIC AND ANTIATHEROSCLEROTIC AGENTS PFIZER INC. (US) 1993-08-05 WO disclosed
WO-1992019614-A1 4-ARYL-3-(HETEROARYLUREIDO)QUINOLINE DERIVATIVES PFIZER INC. (US) 1992-11-12 WO disclosed
EP-0418071-A2 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER INC. (US) 1991-03-20 EP disclosed