SCHEMBL4717364

SCHEMBL4717364

CN(C)CCN(CCN(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
POLB P06746 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
PHLPP2 Q6ZVD8 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
TLR9 Q9NR96 1/20 0.47
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL12004712 0.91 MAPT (0.55) MAPTPOLBHTTL3MBTL1CYP1A2
SCHEMBL6941718 0.89 MAPT (0.57) MAPTPOLBHTTL3MBTL1CYP1A2
SCHEMBL1728626 0.85 MAPT (0.70) MAPTPOLBHTTL3MBTL1CYP1A2
SCHEMBL5692166 0.83 MAPT (0.62) MAPTPOLBL3MBTL1CYP1A2CYP3A4
SCHEMBL29740662 0.83 MAPT (0.57) MAPTHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL6662057 0.82 MAPT (0.53) MAPTHTTL3MBTL1CYP1A2CYP3A4
Ethane SCHEMBL3302283 0.81 MAPT (0.60) MAPTPOLBL3MBTL1CYP1A2CYP3A4
SCHEMBL6372266 0.81 MAPT (0.64) MAPTPOLBHTTL3MBTL1CYP1A2
SCHEMBL5835749 0.80 MAPT (0.73) MAPTHTTL3MBTL1CYP1A2CYP3A4
SCHEMBL6322441 0.80 MAPT (0.54) MAPTPOLBHTTL3MBTL1CYP1A2

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
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 US disclosed