SCHEMBL19971385

SCHEMBL19971385

CC(C)(C)CN(Cc1cn(S(=O)(=O)c2cccnc2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc12)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.36
IDE P14735 2/20 0.34
PTGER2 P43116 3/20 0.34
TNFSF11 O14788 4/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
F11 P03951 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR1F P30939 1/20 0.31
HTR7 P34969 1/20 0.31
DRD3 P35462 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL16618605 0.84 PRMT5 (0.36) HTR6IDEPTGER2TNFSF11HDAC1
SCHEMBL19971344 0.82 IDE (0.40) HTR6IDEPDE4APDE4BPDE4C
SCHEMBL1156756 0.73 PTGER2 (0.38) PTGER2HDAC1
Carbamic Acid SCHEMBL4791646 0.72 PTGER2 (0.39) PTGER2HDAC1
SCHEMBL16619076 0.72 HTR6 (0.47) HTR6IDETNFSF11HDAC1HDAC2
SCHEMBL16619044 0.71 HTR6 (0.45) HTR6IDETNFSF11HDAC1HDAC2
SCHEMBL2411045 0.71 PTGER2 (0.33) HTR6IDEPTGER2
SCHEMBL16619302 0.70 HTR6 (0.44) HTR6IDEPTGER2TNFSF11HDAC1
SCHEMBL16619409 0.70 HTR6 (0.44) HTR6IDEPTGER2TNFSF11HDAC1
SCHEMBL1156603 0.69 PTGER2 (0.36) PTGER2

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP claimed