SCHEMBL4435847

SCHEMBL4435847

CC(CO)c1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
ACE2 Q9BYF1 2/20 0.35
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADRB2 P07550 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PARP1 P09874 1/20 0.33
PYGL P06737 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HCAR3 P49019 1/20 0.33
CYP2C19 P33261 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
SCHEMBL4303115 0.88 ALOX15 (0.36) PDK1ALOX15ALOX12TDP1KDM4E
SCHEMBL888146 0.82 PDK1 (0.44) PDK1ALOX15ALOX12TDP1MAPT
SCHEMBL2065622 0.82 PDK1 (0.44) PDK1ALOX15ALOX12TDP1MAPT
SCHEMBL10177990 0.82 PDK1 (0.44) PDK1ALOX15ALOX12TDP1MAPT
SCHEMBL6234820 0.81 PDK1 (0.41) PDK1ALOX15ALOX12ACE2TDP1
SCHEMBL890038 0.79 PDK1 (0.42) PDK1ALOX15ALOX12TDP1MAPT
SCHEMBL1514928 0.79 PDK1 (0.42) PDK1ALOX15ALOX12TDP1MAPT
SCHEMBL1665434 0.79 PDK1 (0.42) PDK1ALOX15ALOX12TDP1MAPT
SCHEMBL10178329 0.79 PDK1 (0.42) PDK1ALOX15ALOX12TDP1MAPT
SCHEMBL21319 0.79 CASP6 (0.57) PDK1ACE2HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125856-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2009-12-02 EP disclosed
WO-2008070749-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2008-06-12 WO disclosed