SCHEMBL326932

SCHEMBL326932

CC1OC(c2ccncc2[N+](=O)[O-])CC(=O)C1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL14902620 1.00 MEN1 (0.32) MEN1KMT2AGAAHTT
SCHEMBL1911110 0.81 MEN1 (0.37) MEN1KMT2AGAAHTT
SCHEMBL14902623 0.80 MEN1 (0.32) MEN1KMT2AGAAHTT
SCHEMBL319390 0.80 MEN1 (0.32) MEN1KMT2AGAAHTT
SCHEMBL14902626 0.80 MEN1 (0.32) MEN1KMT2AGAAHTT
SCHEMBL10278807 0.79 KMT2A (0.36) MEN1KMT2AGAAHTT
SCHEMBL10278802 0.79 KMT2A (0.36) MEN1KMT2AGAAHTT
SCHEMBL320452 0.79 KMT2A (0.36) MEN1KMT2AGAAHTT
SCHEMBL14902622 0.79 MEN1 (0.31) MEN1KMT2AGAAHTT
SCHEMBL14902621 0.79 MEN1 (0.31) 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