SCHEMBL23536763

SCHEMBL23536763

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2cc(C3CCOCC3)c3ncccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.40
HSD17B10 Q99714 1/20 0.38
PDE4A P27815 1/20 0.37
KLK7 P49862 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
PTGDR Q13258 1/20 0.35
LMNA P02545 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
SCHEMBL23536660 0.88 PDE4A (0.39) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536836 0.88 HTR6 (0.35) HTR6PDE4AKLK7
SCHEMBL23536573 0.86 HTR6 (0.33) HTR6HSD17B10PDE4AKLK7PTGDR2
SCHEMBL23536759 0.86 HTR6 (0.33) HTR6HSD17B10PDE4AKLK7PTGDR2
SCHEMBL23570036 0.86 PDE4A (0.36) HTR6HSD17B10PDE4AKLK7PTGDR2
SCHEMBL23536640 0.85 HTR6 (0.35) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536610 0.85 HTR6 (0.36) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536652 0.84 HTR6 (0.36) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536717 0.81 HTR6 (0.37) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536696 0.81 HTR6 (0.35) HTR6PDE4AKLK7PTGDR2PTGDR

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-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed