SCHEMBL5308290

SCHEMBL5308290

O=C1CCOCCN1.S=C1CCOCCN1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
CRBN Q96SW2 2/20 0.39
OR51E2 Q9H255 1/20 0.38
FKBP5 Q13451 1/20 0.37

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
SCHEMBL2206400 0.87
SCHEMBL85668 0.87
SCHEMBL20408205 0.85 GAA (0.56) SMN1; SMN2HTTLMNAGAACRBN
SCHEMBL23459791 0.74
SCHEMBL13058104 0.69 GAA (0.48) SMN1; SMN2HTTLMNAGAACRBN
SCHEMBL9542421 0.69 GAA (0.73) SMN1; SMN2HTTLMNAGAACRBN
SCHEMBL11557391 0.67 GAA (0.86) SMN1; SMN2HTTLMNAGAACRBN
SCHEMBL11562571 0.67 GAA (0.86) SMN1; SMN2HTTLMNAGAACRBN
SCHEMBL11554085 0.67 GAA (0.86) SMN1; SMN2HTTLMNAGAACRBN
SCHEMBL11581022 0.67 GAA (0.77) SMN1; SMN2HTTLMNAGAACRBN

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-1866313-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-12-19 EP disclosed
WO-2006103399-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-10-05 WO disclosed