SCHEMBL23536759

SCHEMBL23536759

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2cc(C3CCC4(CC3)COCCO4)c3ncccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.33
PDE4A P27815 1/20 0.33
KLK7 P49862 4/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.30
PTGDR Q13258 1/20 0.30

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
SCHEMBL23536573 1.00 HTR6 (0.33) HTR6PDE4AKLK7JAK2JAK1
SCHEMBL23536836 0.89 HTR6 (0.35) HTR6PDE4AKLK7
SCHEMBL23536763 0.86 HTR6 (0.40) HTR6PDE4AKLK7HSD17B10PTGDR2
SCHEMBL23536640 0.83 HTR6 (0.35) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536751 0.81 HTR6 (0.33) HTR6
SCHEMBL23536660 0.80 PDE4A (0.39) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536610 0.79 HTR6 (0.36) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536717 0.79 HTR6 (0.37) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23536652 0.77 HTR6 (0.36) HTR6PDE4AKLK7PTGDR2PTGDR
SCHEMBL23570036 0.76 PDE4A (0.36) HTR6PDE4AKLK7HSD17B10PTGDR2

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