SCHEMBL19647643

SCHEMBL19647643

CC(C)C[C@@H](O)c1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
MAPT P10636 5/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 2/20 0.34
PYGL P06737 1/20 0.34
CLPP Q16740 2/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL15483785 1.00 PDK1 (0.40) PDK1MAPTHTTTDP1MAPK1
SCHEMBL15483722 1.00 PDK1 (0.40) PDK1MAPTHTTTDP1MAPK1
SCHEMBL888129 0.85 PDK1 (0.38) PDK1MAPTTDP1MAPK1L3MBTL1
SCHEMBL888146 0.83 PDK1 (0.44) PDK1MAPTHTTTDP1MAPK1
SCHEMBL2065622 0.83 PDK1 (0.44) PDK1MAPTHTTTDP1MAPK1
SCHEMBL10177990 0.83 PDK1 (0.44) PDK1MAPTHTTTDP1MAPK1
SCHEMBL1665434 0.80 PDK1 (0.42) PDK1MAPTHTTTDP1MAPK1
SCHEMBL10178329 0.80 PDK1 (0.42) PDK1MAPTHTTTDP1MAPK1
SCHEMBL890038 0.80 PDK1 (0.42) PDK1MAPTHTTTDP1MAPK1
SCHEMBL1514928 0.80 PDK1 (0.42) PDK1MAPTHTTTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307565-B1 REVERSIBLE NUCLEOSIDES AND NUCLEOTIDES TERMINATORS AND THEIR USE IN DNA SEQUENCING LASERGEN INC (US) 2017-11-29 EP disclosed