SCHEMBL319500

SCHEMBL319500

CC(=O)OC1CC(c2ccncc2[N+](=O)[O-])OC2(CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 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
SCHEMBL319330 0.83 MEN1 (0.31) MEN1KMT2AGAAHTT
SCHEMBL14902710 0.83 MEN1 (0.31) MEN1KMT2AGAAHTT
SCHEMBL319433 0.82 MEN1 (0.38) MEN1KMT2AGAAHTT
SCHEMBL1910806 0.82 MEN1 (0.38) MEN1KMT2AGAAHTT
SCHEMBL319398 0.80 KMT2A (0.36) MEN1KMT2AGAAHTT
SCHEMBL14902778 0.74
SCHEMBL12503192 0.73 MEN1 (0.37) MEN1KMT2A
SCHEMBL1911154 0.72
SCHEMBL1911242 0.72 MEN1 (0.33) MEN1KMT2A
SCHEMBL14902769 0.71 MEN1 (0.36) MEN1KMT2AGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed