SCHEMBL5040531

SCHEMBL5040531

O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.S=c1c2ccccc2oc2cc(-c3ccccc3)c(S)c(-c3ccccc3)c12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CDC14B O60729 2/20 0.34
CDC14A Q9UNH5 2/20 0.34
WEE1 P30291 1/20 0.32
MAPT P10636 2/20 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
SCHEMBL5042076 0.77 SMN1; SMN2 (0.32) CDC14BCDC14AMAPT
SCHEMBL3680645 0.74 MEN1 (0.38) MAPT
SCHEMBL5046429 0.73 CDC14B (0.32) CDC14BCDC14A
Biphenyl SCHEMBL1816739 0.67 PTPN1 (0.47)
Perflubutane SCHEMBL6029410 0.67 MEN1 (0.41) MAPT
SCHEMBL1516292 0.66 PLK1 (0.34) MAPT
Benzenethiol SCHEMBL29745974 0.66 CA2 (0.39)
Trifluoromethanesulfonic Acid SCHEMBL5046279 0.65 MAOA (0.35) CDC14BCDC14AMAPT
SCHEMBL6271604 0.65 CA1 (0.36)
SCHEMBL6868837 0.64 CYP2A6 (0.37)

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