SCHEMBL13936626

SCHEMBL13936626

COCN(COC)c1nc(N(O)C(C)=O)nc(N(COC)C(C)=O)n1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 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
SCHEMBL2618702 0.92 HTT (0.34) HTT
SCHEMBL2736002 0.89 CRHR1 (0.33) HTT
SCHEMBL13936627 0.88 GAA (0.30)
SCHEMBL12216063 0.87 HTT (0.30) HTT
SCHEMBL12430567 0.85 HTT (0.31) HTT
SCHEMBL16556335 0.85 SMN1; SMN2 (0.33) HTT
SCHEMBL2736006 0.83 TP53 (0.33)
SCHEMBL2736011 0.77 ALDH1A1 (0.41)
SCHEMBL13133046 0.77 TAS2R14 (0.31)
SCHEMBL13133044 0.76 LDHA (0.35)

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
US-7485409-B2 Planographic printing plate precursor FUJIFILM CORPORATION (JP) 2009-02-03 US disclosed