SCHEMBL2279182

SCHEMBL2279182

CNS(=O)(=O)c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
KIF11 P52732 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL2364746 0.85 SMN1; SMN2 (0.59) SMN1; SMN2LMNAHTTALDH1A1GAA
SCHEMBL15963707 0.79 ALDH1A1 (0.71) SMN1; SMN2LMNAHTTALDH1A1GAA
SCHEMBL13898348 0.78 AR (0.64) SMN1; SMN2LMNAHTTALDH1A1CA12
SCHEMBL2371771 0.77 SMN1; SMN2 (0.63) SMN1; SMN2LMNAHTTKIF11ALDH1A1
SCHEMBL1031792 0.77 PTPRZ1 (0.45) SMN1; SMN2LMNAALDH1A1CA12CA1
SCHEMBL18118512 0.77 CA12 (0.59) HTTKIF11ALDH1A1CA12CA1
SCHEMBL27170892 0.77 SMN1; SMN2 (0.73) SMN1; SMN2LMNAHTTKIF11ALDH1A1
SCHEMBL2494494 0.76 ALDH1A1 (0.45) SMN1; SMN2LMNAHTTALDH1A1GAA
SCHEMBL6911956 0.76 TNNI3K (0.55) KIF11ALDH1A1CA1CA2MEN1
SCHEMBL6846126 0.76 TSHR (0.64) SMN1; SMN2LMNAHTTALDH1A1CA12

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