SCHEMBL22827686

SCHEMBL22827686

COC(=O)c1c(F)cccc1[S+]([O-])N[Si](C)(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 12/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ RAB9A P51151 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ BRS3 P32247 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 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
SCHEMBL22827908 0.72 CA1 (0.38) BDKRB1CA12CA1CA2CA7
SCHEMBL1070351 0.71 CA12 (0.61) BDKRB1CA12CA1CA2CA7
SCHEMBL13208390 0.70 CA2 (0.48) BDKRB1CA12CA1CA2CA7
SCHEMBL30632216 0.65 CA12 (0.53) BDKRB1CA12CA1CA2CA7
SCHEMBL619907 0.65 CA12 (0.77) BDKRB1CA12CA1CA2CA7
SCHEMBL621753 0.65 CA12 (0.53) BDKRB1CA12CA1CA2CA7
SCHEMBL30432593 0.65 CA12 (0.53) BDKRB1CA12CA1CA2CA7
SCHEMBL8056782 0.65 CA12 (0.53) BDKRB1CA12CA1CA2CA7
SCHEMBL2720902 0.65 CA12 (0.48) BDKRB1CA12CA1CA2CA7
SCHEMBL23523310 0.64 CA12 (0.52) BDKRB1CA12CA1CA2CA7

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-2020254697-A1 FUSED 1,2 THIAZOLES AND 1,2 THIAZINES WHICH ACT AS NL3P3 MODULATORS AC IMMUNE SA (CH) 2020-12-24 — — WO disclosed
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