SCHEMBL2954583

SCHEMBL2954583

Nc1ccc(-c2nc(-c3ccccc3[N+](=O)[O-])[nH]c2-c2ccc(N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
GUSB P08236 1/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
IDO1 P14902 1/20 0.46
MAPK14 Q16539 5/20 0.45
MAPK13 O15264 4/20 0.45
MAPK12 P53778 4/20 0.45
MAPK11 Q15759 4/20 0.45
ALOX5 P09917 3/20 0.45
GCGR P47871 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
RIPK2 O43353 1/20 0.44
GMNN O75496 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
SCHEMBL27987460 0.89 MGAM (0.58) MGAMGAASIMGAM2GUSB
SCHEMBL2948968 0.84 MAPT (0.55) MGAMGAASIMGAM2KDM4E
SCHEMBL6447986 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL2946263 0.76 MAPT (0.61) GAAGUSBPOLBKDM4EMAPK14
SCHEMBL10712973 0.75 ALDH1A1 (0.71) MGAMGAASIMGAM2POLB
SCHEMBL31154073 0.75 GUSB (0.55) MGAMGAASIMGAM2GUSB
SCHEMBL7135908 0.75 GAA (0.55) MGAMGAASIMGAM2GUSB
SCHEMBL3409732 0.74 MAPK14 (0.71) GAAKDM4EMAPK14MAPK13MAPK12
Hydrochloric Acid SCHEMBL29622996 0.72 MAPK14 (0.69) GAAPOLBKDM4EMAPK14MAPK13
SCHEMBL19389307 0.72 MAPK14 (0.48) GAAGUSBPOLBKDM4EIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749625-B2 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2010-07-06 US claimed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US claimed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP claimed
US-7749625-B2 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2010-07-06 US disclosed
US-20080233438-A1 Fuel for fuel cell, fuel cell and application thereof KURITA WATER INDUSTRIES LTD. (JP) 2008-09-25 US disclosed
EP-1705740-A1 FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF Kurita Water Industries Ltd. (JP) 2006-09-27 EP disclosed