SCHEMBL807417

SCHEMBL807417

CCCCOC[C@@H]1C[C@@H](CC)C(O)(c2ccc3c(N)ncnn23)O1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ DOT1L Q8TEK3 1/20 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
SCHEMBL10142225 0.88 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL10142092 0.82 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL4974309 0.82 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL807422 0.81 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL10143786 0.81 — —
SCHEMBL10142421 0.81 — —
SCHEMBL4971072 0.79 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL4970277 0.79 — —
SCHEMBL10154121 0.77 TMPRSS2 (0.31) —
SCHEMBL4972175 0.76 PIK3CD (0.32) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037038-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-22 — — WO disclosed
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