SCHEMBL5800447

SCHEMBL5800447

COC(=O)C1([N+](=O)[O-])CC=CS1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 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
SCHEMBL3658647 0.68 NPSR1 (0.33)
SCHEMBL27395388 0.68 LMNA (0.30)
SCHEMBL28064835 0.67 MEN1 (0.31) MEN1KMT2A
SCHEMBL28738277 0.63 KDM4E (0.31) MEN1KMT2AMAPT
SCHEMBL6588622 0.63 NPSR1 (0.33)
SCHEMBL27966182 0.62 NPSR1 (0.38) MAPT
SCHEMBL7328318 0.60 KMT2A (0.31) KMT2A
SCHEMBL28343108 0.60
SCHEMBL23420659 0.59
SCHEMBL21803044 0.59 MEN1 (0.38) MEN1KMT2AMAPT

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-2006065788-A2 NOVEL MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-06-22 WO disclosed