SCHEMBL4753598

SCHEMBL4753598

Nc1cccnc1-c1cnns1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 3/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
RUNX1 Q01196 2/20 0.36
CBFB Q13951 2/20 0.36
GFER P55789 1/20 0.36
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
IDO1 P14902 1/20 0.33
PSMB5 P28074 1/20 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
SCHEMBL1093537 0.76 CA1 (0.44) MAPTHTTGAAALDH1A1HPGD
SCHEMBL2660255 0.75 ALDH1A1 (0.43) MAPTHTTGAAALDH1A1HPGD
SCHEMBL4753596 0.74 ALDH1A1 (0.42) MAPTHTTGAAALDH1A1HPGD
SCHEMBL29535498 0.73 HSP90AA1 (0.45) CNR2MAPTHTTGAAALDH1A1
SCHEMBL1083427 0.73 HSP90AA1 (0.45) CNR2MAPTHTTGAAALDH1A1
SCHEMBL6993258 0.72 ALDH1A1 (0.47) MAPTHTTGAAALDH1A1HPGD
SCHEMBL30800073 0.71 CNR2 (0.43) CNR2MAPTHTTGAAALDH1A1
SCHEMBL10670524 0.70 CYP11B1 (0.50) ALDH1A1NOS3NOS1NOS2PI4KA
SCHEMBL22014607 0.70 ALDH1A1 (0.39) MAPTHTTGAAALDH1A1HPGD
SCHEMBL22806530 0.66 CNR2 (0.40) CNR2MAPTHTTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954696-A2 2-PHENOXY-N-(1,3,4-THIADIZOL-2-YL)PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS Bristol-Myers Squibb Company (US) 2008-08-13 EP disclosed
WO-2006078621-A9 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2008-06-19 WO disclosed
WO-2006078621-A2 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-27 WO disclosed