SCHEMBL13951917

SCHEMBL13951917

O=c1cc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ KCNA3 P22001 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NQO1 P15559 1/20 0.41
▸ ALOX15 P16050 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL12986005 0.85 KCNA3 (0.51) CA12CA1CA9KCNA3ALDH1A1
Hydrogen Sulfide SCHEMBL6868834 0.84 CYP2A6 (0.49) CA12CA1CA9KCNA3ALDH1A1
SCHEMBL9576647 0.78 MAOA (0.52) ALDH1A1MEN1KMT2APTGS2LMNA
SCHEMBL17861409 0.78 CA12 (0.52) CA12CA1CA9KCNA3ALDH1A1
SCHEMBL25185349 0.75 CDC14B (0.33) CA1CYP19A1PTGS2
SCHEMBL13813784 0.75 CA12 (0.52) CA12CA1CA9KCNA3ALDH1A1
SCHEMBL22193184 0.74 CA12 (0.52) CA12CA1CA9KCNA3ALDH1A1
SCHEMBL13813787 0.73 CA12 (0.43) CA12CA1CA9KCNA3ALDH1A1
SCHEMBL15398161 0.73 CA12 (0.54) CA12CA1CA9KCNA3ALDH1A1
SCHEMBL31299571 0.72 CA1 (0.39) CA1CA9ALDH1A1MEN1KMT2A

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
US-20090045552-A1 Positive resist composition for recording medium master, and method of producing recording medium master and method of producing stamper using the same IMAI GENJI 2009-02-19 — — US disclosed
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