SCHEMBL2948968

SCHEMBL2948968

COc1ccc(-c2nc(-c3ccccc3[N+](=O)[O-])[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
TP53 P04637 2/20 0.55
MAPK13 O15264 2/20 0.55
MAPK12 P53778 2/20 0.55
MAPK11 Q15759 2/20 0.55
MAPK14 Q16539 2/20 0.55
RAF1 P04049 1/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
KMT2A Q03164 3/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP1A2 P05177 1/20 0.55
GLA P06280 1/20 0.55
CYP2C19 P33261 1/20 0.55
GFER P55789 1/20 0.55
NOX1 Q9Y5S8 1/20 0.53
PDE10A Q9Y233 1/20 0.52
TEK Q02763 7/20 0.50

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 0.86 MGAM (0.58) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL17133338 0.85 MAPT (0.68) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL2954583 0.84 MGAM (0.49) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL17133350 0.82 MAPT (0.73) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL2957696 0.80 NOX1 (0.65) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL6447986 0.79 MAPK14 (0.69) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL6465023 0.79 NOX1 (0.60) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL25272570 0.79 TEK (0.73) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL11082627 0.79 TEK (0.73) MAPTTP53MAPK13MAPK12MAPK11
SCHEMBL3194058 0.79 TEK (0.73) MAPTTP53MAPK13MAPK12MAPK11

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 8 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
JP-11194095-A None JP disclosed
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
JP-H11194095-A ANALYSIS REAGENT KURITA WATER IND LTD 1999-07-21 JP disclosed