SCHEMBL4367746

SCHEMBL4367746

Cc1ccc(S(=O)(=O)n2cc(CCI)c3c(Br)cccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.51
KDM4E B2RXH2 1/20 0.43
UBE2N P61088 1/20 0.43
ALK Q9UM73 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP19A1 P11511 1/20 0.43
POLB P06746 1/20 0.42
ALDH3A1 P30838 1/20 0.42
HTT P42858 1/20 0.42
NOD1 Q9Y239 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL19216921 0.88 HTR6 (0.52) HTR6KDM4EUBE2NALKL3MBTL1
SCHEMBL14662807 0.81 KDM4E (0.50) HTR6KDM4EUBE2NALKL3MBTL1
SCHEMBL4367745 0.77 HTR6 (0.48) HTR6KDM4EUBE2NL3MBTL1CYP19A1
SCHEMBL28493425 0.77 KDM4E (0.66) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL3678959 0.76 CA1 (0.51) HTR6KDM4EUBE2NALKL3MBTL1
SCHEMBL19216923 0.76 LMNA (0.52) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL13257973 0.74 HTR6 (0.52) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL13257974 0.74 HTR6 (0.53) HTR6KDM4EUBE2NL3MBTL1POLB
SCHEMBL29111266 0.73 HTR6 (0.53) HTR6KDM4EUBE2NALKL3MBTL1
SCHEMBL3210637 0.72 HTR6 (0.84) HTR6

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