Sugi Predict

Sugi Predict / Compounds / SCHEMBL23536660

SCHEMBL23536660

SCHEMBL23536660

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2cc(C3CCC(=O)CC3)c3ncccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.39
▸ HTR6 P50406 11/20 0.38
▸ KLK7 P49862 4/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ PTGDR Q13258 1/20 0.35
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ MET P08581 1/20 0.33

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
SCHEMBL23536763 0.88 HTR6 (0.40) PDE4AHTR6KLK7PTGDR2PTGDR
SCHEMBL23536610 0.85 HTR6 (0.36) PDE4AHTR6KLK7PTGDR2PTGDR
SCHEMBL23536652 0.84 HTR6 (0.36) PDE4AHTR6KLK7PTGDR2PTGDR
SCHEMBL23536640 0.84 HTR6 (0.35) PDE4AHTR6KLK7PTGDR2PTGDR
SCHEMBL23536836 0.84 HTR6 (0.35) PDE4AHTR6KLK7
SCHEMBL23536717 0.81 HTR6 (0.37) PDE4AHTR6KLK7PTGDR2PTGDR
SCHEMBL23536759 0.80 HTR6 (0.33) PDE4AHTR6KLK7PTGDR2PTGDR
SCHEMBL23536573 0.80 HTR6 (0.33) PDE4AHTR6KLK7PTGDR2PTGDR
SCHEMBL23536696 0.79 HTR6 (0.35) PDE4AHTR6KLK7PTGDR2PTGDR
SCHEMBL23570036 0.78 PDE4A (0.36) PDE4AHTR6KLK7PTGDR2PTGDR

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