SCHEMBL4367745

SCHEMBL4367745

Cc1ccc(S(=O)(=O)n2cc(C(C)I)c3c(Br)cccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.48
KDM4E B2RXH2 1/20 0.44
UBE2N P61088 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
ALDH3A1 P30838 1/20 0.43
HTT P42858 1/20 0.43
NOD1 Q9Y239 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
DRD3 P35462 1/20 0.42
CYP19A1 P11511 1/20 0.41
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.39
KLK7 P49862 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
SCHEMBL14662807 0.82 KDM4E (0.50) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL19216921 0.79 HTR6 (0.52) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL28493425 0.78 KDM4E (0.66) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL4367746 0.77 HTR6 (0.51) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL3678959 0.77 CA1 (0.51) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL19216923 0.77 LMNA (0.52) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL13257973 0.74 HTR6 (0.52) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL13257974 0.74 HTR6 (0.53) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL28081143 0.73 HTR6 (0.43) HTR6KDM4EUBE2NHTR2A
SCHEMBL3619076 0.72 HTR6 (0.52) HTR6L3MBTL1HTTCA1CA2

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