SCHEMBL8746009

SCHEMBL8746009

N#CC(C#N)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.62
KMT2A Q03164 8/20 0.62
TDP1 Q9NUW8 6/20 0.62
MEN1 O00255 6/20 0.62
MMP14 P50281 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAPK1 P28482 8/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
HTT P42858 3/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 3/20 0.56
LMNA P02545 3/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL8745996 0.81 MAPT (0.57) MAPTKMT2ATDP1MEN1MMP14
SCHEMBL11194047 0.81 MAPT (0.54) MAPTKMT2ATDP1MEN1NPSR1
SCHEMBL11194048 0.81 MAPT (0.54) MAPTKMT2ATDP1MEN1NPSR1
SCHEMBL1664726 0.81 MAPT (0.71) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL30423891 0.81 MAPT (0.71) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL8745989 0.80 MAPT (0.56) MAPTKMT2ATDP1MEN1MMP14
SCHEMBL3737780 0.80 MAPT (0.56) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL11569964 0.77 MAPT (0.59) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL4301761 0.76 MAPT (0.69) MAPTKMT2ATDP1MEN1MAPK1
SCHEMBL22261607 0.76 MAPT (0.74) MAPTKMT2ATDP1MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457182-B1 Method having increased sensitivity, for the determination of an ion, the use of suitable substances and corresponding means therefor BOEHRINGER MANNHEIM GMBH (DE) 1997-02-26 EP disclosed
EP-0461392-B1 Test carrier for the determination of ions BOEHRINGER MANNHEIM GMBH (DE) 1996-01-10 EP disclosed
US-5302346-A Test carrier for the determination of ions BOEHRINGER MANNHEIM GMBH (DE) 1994-04-12 US disclosed
US-5215924-A Water immiscibility; ionophore; pH indicator which undergoes color change; sensitizer/stabilizer BOEHRINGER MANNHEIM GMBH (DE) 1993-06-01 US disclosed
US-5211914-A TEST CARRIER FOR THE DETERMINATION OF IONS BOEHRINGER MANNHEIM GMBH (DE) 1993-05-18 US disclosed
EP-0461392-A2 Test carrier for the determination of ions Roche Diagnostics GmbH (DE) 1991-12-18 EP disclosed
EP-0457182-A2 Method having increased sensitivity, for the determination of an ion, the use of suitable substances and corresponding means therefor Roche Diagnostics GmbH (DE) 1991-11-21 EP disclosed