SCHEMBL14561869

SCHEMBL14561869

COC(=O)C(CN=[N+]=[N-])OC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17775438 0.82 NOS1 (0.32) —
SCHEMBL17404777 0.80 CA1 (0.38) SMN1; SMN2
SCHEMBL14123552 0.78 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL14140096 0.78 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL14872314 0.69 — —
SCHEMBL28102352 0.68 — —
SCHEMBL17747029 0.68 LTA4H (0.33) SMN1; SMN2
SCHEMBL17747031 0.68 LTA4H (0.33) SMN1; SMN2
SCHEMBL18658419 0.68 HTT (0.35) SMN1; SMN2
SCHEMBL15152595 0.68 ACACB (0.33) —

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-7186397-B2 Metal complexes derivatized with folate for use in diagnostic and therapeutic applications BRACCO INTERNATIONAL B.V. (NL) 2007-03-06 — — US disclosed
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