SCHEMBL1703828

SCHEMBL1703828

N#CC(C#N)=NNc1ccc(OCF)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.63
MEN1 O00255 9/20 0.63
KMT2A Q03164 9/20 0.63
ALDH1A1 P00352 8/20 0.63
TDP1 Q9NUW8 7/20 0.63
CYP3A4 P08684 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ALOX15 P16050 2/20 0.63
TSHR P16473 2/20 0.63
HSD17B10 Q99714 2/20 0.63
HIF1A Q16665 2/20 0.63
TP53 P04637 1/20 0.63
BLM P54132 1/20 0.63
EPAS1 Q99814 1/20 0.63
NPSR1 Q6W5P4 5/20 0.49
MMP14 P50281 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
MCL1 Q07820 1/20 0.49
CYP1A2 P05177 2/20 0.48

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
SCHEMBL12443486 0.84 MAPT (0.66) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL24129813 0.79 MAOB (0.54) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL30446586 0.78 MAPT (0.64) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL24130161 0.78 MAPT (0.52) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL345231 0.77 MAPT (1.00) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL24130390 0.77 MAPT (0.59) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL24130406 0.77 MAPT (0.51) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL24130082 0.77 MAPT (0.51) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL24130109 0.77 MEN1 (0.58) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL2241345 0.75 ALDH1A1 (0.60) MAPTMEN1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2442394-A1 FUEL CELL, PROCESS FOR MANUFACTURE OF FUEL CELL, ELECTRONIC DEVICE, ENZYME-IMMOBILIZED ELECTRODE, BIOSENSOR, ENERGY CONVERSION ELEMENT, CELL, CELL ORGANELLE, AND BACTERIUM Sony Corporation (JP) 2012-04-18 EP disclosed
CN-102124598-A Fuel cell, process for manufacture of fuel cell, electronic device, enzyme-immobilized electrode, biosensor, energy conversion element, cell, cell organelle, and bacterium SONY CORP 2011-07-13 CN disclosed
US-20110136022-A1 FUEL CELL, METHOD FOR PRODUCING FUEL CELL, ELECTRONIC APPARATUS, ENZYME-IMMOBILIZED ELECTRODE, BIOSENSOR, ENERGY-CONVERSION ELEMENT, CELLS, ORGANELLES, AND BACTERIA SONY CORPORATION (JP) 2011-06-09 US disclosed