SCHEMBL2946263

SCHEMBL2946263

Nc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)[nH]c2-c2ccc(N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
CYP1A2 P05177 3/20 0.61
CYP2D6 P10635 3/20 0.61
CYP2C19 P33261 3/20 0.61
ALOX5 P09917 3/20 0.60
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 3/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2C9 P11712 2/20 0.58
HCRTR1 O43613 1/20 0.58
RAB9A P51151 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NFKB1 P19838 2/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
CASP3 P42574 1/20 0.55
NPBWR1 P48145 1/20 0.55

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
SCHEMBL2126513 0.90 MAPT (0.74) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL6469131 0.88 MMP13 (0.65) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL2954980 0.84 ALOX5 (0.60) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL6469515 0.84 ALOX5 (0.71) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL6449323 0.82 MAPK14 (0.77) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL6468507 0.82 ALOX5 (0.69) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL2127659 0.79 KMT2A (0.68) MAPTMEN1KMT2AALOX5ALDH1A1
SCHEMBL9514606 0.79 KMT2A (0.68) MAPTMEN1KMT2AALOX5ALDH1A1
SCHEMBL31154212 0.79 MAPT (0.68) MAPTMEN1KMT2ACYP1A2CYP2D6
SCHEMBL31357888 0.79 RAB9A (0.81) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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