SCHEMBL2957412

SCHEMBL2957412

COc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)n(C)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
NFE2L2 Q16236 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
PLAU P00749 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KEAP1 Q14145 1/20 0.45
POLB P06746 1/20 0.45
TEK Q02763 2/20 0.44
PLG P00747 1/20 0.44
PLAT P00750 1/20 0.44
PTGS2 P35354 1/20 0.44
PGR P06401 1/20 0.44
LMNA P02545 1/20 0.44
HTR7 P34969 1/20 0.43

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
SCHEMBL2951932 0.87 RAB9A (0.52) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL27881874 0.79 LMNA (0.59) MAPTSMN1; SMN2GAAALDH1A1NPSR1
SCHEMBL2957488 0.78 HTR7 (0.53) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL8477184 0.77 PLAU (0.62) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL5266113 0.75 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL5261723 0.75 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL2954980 0.74 ALOX5 (0.60) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL3011163 0.73 PLAU (0.68) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL4429243 0.73 TEK (0.60) MEN1KMT2AALDH1A1NPSR1TEK
SCHEMBL5082102 0.73 TEK (0.60) MEN1KMT2AALDH1A1NPSR1TEK

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