SCHEMBL319080

SCHEMBL319080

CC1CC(=O)CC(c2ccncc2[N+](=O)[O-])O1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 4/20 0.35
HTT P42858 4/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
MAOA P21397 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
SCHEMBL1911173 1.00 MEN1 (0.38) MEN1KMT2AMAPTHTTPOLB
SCHEMBL10278927 0.84 MEN1 (0.36) MEN1KMT2AMAPTHTTPOLB
SCHEMBL1911110 0.81 MEN1 (0.37) MEN1KMT2AMAPTHTTPOLB
SCHEMBL320660 0.80 MEN1 (0.36) MEN1KMT2AMAPTHTTPOLB
SCHEMBL10278802 0.79 KMT2A (0.36) MEN1KMT2AMAPTHTTPOLB
SCHEMBL320452 0.79 KMT2A (0.36) MEN1KMT2AMAPTHTTPOLB
SCHEMBL10278807 0.79 KMT2A (0.36) MEN1KMT2AMAPTHTTPOLB
SCHEMBL319060 0.78 MEN1 (0.39) MEN1KMT2AMAPTHTTPOLB
SCHEMBL1911153 0.78 MEN1 (0.36) MEN1KMT2AMAPTHTTPOLB
SCHEMBL1910960 0.77 MEN1 (0.34) MEN1KMT2AMAPTHTTPOLB

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