SCHEMBL3432673

SCHEMBL3432673

O=CN1CCCCC1N1CCC(OO)(OO)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13729494 0.79 MEN1 (0.47) MEN1KMT2A
SCHEMBL27360393 0.75 MEN1 (0.43) MEN1KMT2A
SCHEMBL2386511 0.74 MEN1 (0.42) MEN1KMT2A
SCHEMBL28228185 0.71 MEN1 (0.38) MEN1KMT2A
SCHEMBL15173289 0.71 HTR6 (0.40) MEN1KMT2A
SCHEMBL8789140 0.69 MEN1 (0.40) MEN1KMT2A
SCHEMBL9711356 0.67 MEN1 (0.41) MEN1KMT2A
SCHEMBL28180702 0.62 MEN1 (0.36) MEN1KMT2A
SCHEMBL4028237 0.62
SCHEMBL23143621 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233479-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER Liverpool School of Tropical Medicine (GB) 2010-09-29 EP disclosed
EP-2091935-A2 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER Liverpool School of Tropical Medicine (GB) 2009-08-26 EP disclosed
WO-2008038030-A2 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2008-04-03 WO disclosed