SCHEMBL19971344

SCHEMBL19971344

CC1(C)OB(c2ccc3c(CNC(=O)O)cn(S(=O)(=O)c4cccnc4)c3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDE P14735 5/20 0.40
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HTR6 P50406 3/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NAMPT P43490 4/20 0.34
CYP2C9 P11712 2/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL19971385 0.82 HTR6 (0.36) IDEPDE4APDE4BPDE4CPDE4D
SCHEMBL16618605 0.80 PRMT5 (0.36) IDEPDE4APDE4BPDE4CPDE4D
SCHEMBL28068083 0.75 IDE (0.43) IDEPDE4APDE4BPDE4CPDE4D
SCHEMBL19971473 0.74 PDE4A (0.44) IDEPDE4APDE4BPDE4CPDE4D
SCHEMBL28068056 0.73 IDE (0.42) IDEPDE4APDE4BPDE4CPDE4D
SCHEMBL19984047 0.73 HTR6 (0.43) IDEPDE4APDE4BPDE4CPDE4D
SCHEMBL28068051 0.73 IDE (0.41) IDEPDE4APDE4BPDE4CPDE4D
SCHEMBL16619172 0.71 HTR6 (0.46) IDEHTR6
SCHEMBL16619000 0.71 HTR6 (0.46) IDEHTR6
SCHEMBL16618718 0.71 PDE4A (0.43) IDEPDE4APDE4BPDE4CPDE4D

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