SCHEMBL8745992

SCHEMBL8745992

N#CC(C#N)=NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 11/20 0.52
RAPGEF4 Q8WZA2 2/20 0.52
MAPT P10636 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
CYP3A4 P08684 3/20 0.51
ALOX15 P16050 2/20 0.51
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HIF1A Q16665 2/20 0.51
TP53 P04637 1/20 0.51
BLM P54132 1/20 0.51
EPAS1 Q99814 1/20 0.51
CISD1 Q9NZ45 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL923473 0.85 SMN1; SMN2 (0.49) RAPGEF3RAPGEF4MAPTMEN1KMT2A
SCHEMBL924786 0.83 MAPT (0.60) MAPTMEN1KMT2ATDP1CYP3A4
SCHEMBL922482 0.82 MAPT (0.64) RAPGEF3RAPGEF4MAPTMEN1KMT2A
SCHEMBL9877010 0.76 RAPGEF3 (0.66) RAPGEF3RAPGEF4MAPTNPSR1
SCHEMBL923266 0.72 MAPT (0.69) RAPGEF3RAPGEF4MAPTMEN1KMT2A
SCHEMBL20523678 0.70 RAPGEF3 (1.00) RAPGEF3RAPGEF4MAPTNPSR1
SCHEMBL11545594 0.69 GAA (0.45) RAPGEF3RAPGEF4MAPTKMT2ASMN1; SMN2
SCHEMBL24707370 0.69 DYRK1A (0.55)
SCHEMBL24130109 0.69 MEN1 (0.58) MAPTMEN1KMT2ATDP1CYP3A4
SCHEMBL5538125 0.69 RAPGEF4 (0.41) RAPGEF3RAPGEF4MAPTMEN1KMT2A

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 5 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 claimed
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 claimed
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
US-5215924-A Water immiscibility; ionophore; pH indicator which undergoes color change; sensitizer/stabilizer BOEHRINGER MANNHEIM GMBH (DE) 1993-06-01 US 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