SCHEMBL4757730

SCHEMBL4757730

Nc1ncc(Br)c(N2CCN(Cc3cncc(F)c3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.38
DRD4 P21917 6/20 0.38
DRD3 P35462 6/20 0.38
GNRHR P30968 1/20 0.36
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
KLKB1 P03952 2/20 0.34
KLK1 P06870 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AURKA O14965 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
SCHEMBL4757112 0.88 DRD2 (0.38) DRD2DRD4DRD3GNRHRPOLB
SCHEMBL210615 0.87 KDM4E (0.44) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL208800 0.86 AURKA (0.43) POLBMAPTALDH1A1L3MBTL1NPBWR1
SCHEMBL209448 0.83 POLB (0.52) POLBMAPTALDH1A1L3MBTL1NPBWR1
SCHEMBL208834 0.83 OPRM1 (0.48) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL209785 0.83 AURKA (0.47) DRD2DRD4DRD3POLBMAPT
SCHEMBL2731281 0.82 ALDH1A1 (0.52) POLBMAPTALDH1A1L3MBTL1NPBWR1
SCHEMBL207969 0.81 AURKA (0.46) POLBMAPTALDH1A1L3MBTL1NPBWR1
SCHEMBL4757119 0.79 POLB (0.38) POLBMAPTALDH1A1L3MBTL1NPBWR1
SCHEMBL208825 0.78 MAPT (0.45) POLBMAPTALDH1A1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed