SCHEMBL28637758

SCHEMBL28637758

CN(C)S(=O)(=O)N1CCCO1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL20492242 0.84 GAA (0.35) GAA
SCHEMBL3973886 0.70
SCHEMBL18670576 0.65
SCHEMBL3630393 0.64 GAA (0.85) GAAALDH1A1MEN1HTTKMT2A
SCHEMBL3634814 0.64 GAA (0.85) GAAALDH1A1MEN1HTTKMT2A
SCHEMBL15283000 0.64 GAA (0.95) GAAALDH1A1MEN1HTTKMT2A
SCHEMBL18670609 0.64 CA12 (0.60) ALDH1A1HTTKMT2A
SCHEMBL13902799 0.64 GAA (0.60) GAAALDH1A1MEN1HTTKMT2A
SCHEMBL3600256 0.62 GAA (0.81) GAAALDH1A1MEN1HTTKMT2A
SCHEMBL9987759 0.62 GAA (0.81) GAAALDH1A1MEN1HTTKMT2A

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
CN-108026089-B Isoxazoline substituted benzamides and analogs as pesticides 先正达参股股份有限公司 2021-10-22 CN disclosed