SCHEMBL2284446

SCHEMBL2284446

CNS(=O)(=O)c1ccc(OC(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA3 P07451 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA13 Q8N1Q1 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
KIF11 P52732 1/20 0.44
NR3C2 P08235 1/20 0.42
ALDH3A1 P30838 1/20 0.42

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
SCHEMBL2284914 0.85 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHTTALDH1A1GAA
SCHEMBL2373111 0.81 SMN1; SMN2 (0.63) SMN1; SMN2LMNAHTTALDH1A1GAA
SCHEMBL9978287 0.79 SMN1; SMN2 (0.66) SMN1; SMN2LMNAHTTALDH1A1GAA
SCHEMBL17431601 0.79 F2 (0.36) HTTALDH1A1CA1CA2CA9
SCHEMBL17431639 0.77 LMNA (0.42) SMN1; SMN2LMNAHTTALDH1A1CA1
SCHEMBL2371771 0.77 SMN1; SMN2 (0.63) SMN1; SMN2LMNAHTTALDH1A1GAA
SCHEMBL17431596 0.76 CA1 (0.39) HTTALDH1A1CA1CA2CA9
SCHEMBL17907417 0.74 SMN1; SMN2 (1.00) SMN1; SMN2LMNAHTTALDH1A1GAA
SCHEMBL27170892 0.73 SMN1; SMN2 (0.73) SMN1; SMN2LMNAHTTALDH1A1GAA
SCHEMBL2279182 0.73 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523559-A1 COMPOUNDS AND METHODS GlaxoSmithKline LLC (US) 2012-11-21 EP claimed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO claimed
EP-2523559-A1 COMPOUNDS AND METHODS GlaxoSmithKline LLC (US) 2012-11-21 EP disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed