SCHEMBL4542962

SCHEMBL4542962

Cc1ccc(S(=O)(=O)OCCc2c(S(=O)(=O)c3ccc(C)cc3)[nH]c3ccc(Cl)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
MAPT P10636 1/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
CNR1 P21554 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SIRT1 Q96EB6 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL4543731 0.91 POLB (0.40) POLBDUSP3PTPN5PTPN11MCL1
SCHEMBL4233003 0.86 MAPT (0.50) MAPTHTR7HTR6HTR1AMEN1
SCHEMBL4225100 0.86 MAPT (0.40) MAPTMEN1KMT2AALDH1A1
SCHEMBL4224408 0.84 POLB (0.48) POLBDUSP3PTPN5PTPN11MAPT
SCHEMBL4231056 0.84 EGFR (0.46) HTR6CNR1ALDH1A1MCL1
SCHEMBL4540052 0.80 GPR17 (0.37) MAPTHTR6MEN1KMT2AMCL1
SCHEMBL4223918 0.75 POLB (0.43) POLBDUSP3PTPN5PTPN11MAPT
SCHEMBL4223972 0.74 GPR17 (0.37) POLBMAPTHTR6KMT2AALDH1A1
SCHEMBL4223932 0.74 MAPT (0.41) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL9215791 0.72 SLC6A4 (0.52) POLBDUSP3PTPN5PTPN11MAPT

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
WO-2009006089-A2 A2 ADENOSINE RECEPTOR AGONISTS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-01-08 WO disclosed