SCHEMBL5046429

SCHEMBL5046429

O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.S=c1c2ccccc2oc2c(S)cccc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDC14B O60729 3/20 0.32
CDC14A Q9UNH5 3/20 0.32
MAOA P21397 1/20 0.32
KDM5A P29375 1/20 0.31

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
Trifluoromethanesulfonic Acid SCHEMBL5048085 0.88 MAOA (0.38) CDC14BCDC14AMAOAKDM5A
SCHEMBL5042076 0.82 SMN1; SMN2 (0.32) CDC14BCDC14AMAOA
SCHEMBL6868837 0.76 CYP2A6 (0.37)
Trifluoromethanesulfonic Acid SCHEMBL6879347 0.74 MAOA (0.56) MAOAKDM5A
SCHEMBL5046431 0.73
SCHEMBL5040531 0.73 CDC14B (0.34) CDC14BCDC14A
SCHEMBL3524443 0.72
SCHEMBL3524445 0.71 CA1 (0.30)
Trifluoromethanesulfonic Acid SCHEMBL5046279 0.69 MAOA (0.35) CDC14BCDC14AMAOA
Benzenethiol SCHEMBL29745974 0.68 CA2 (0.39)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481973-B1 HETEROCYCLE-BEARING ONIUM SALTS WAKO PURE CHEM IND LTD (JP) 2008-12-31 EP disclosed
EP-1481973-A1 HETEROCYCLE-BEARING ONIUM SALTS Wako Pure Chemical Industries, Ltd. (JP) 2004-12-01 EP disclosed