SCHEMBL319269

SCHEMBL319269

CC1(C)OC(c2ccncc2[N+](=O)[O-])CC(O[Si](C)(C)C(C)(C)C)C1O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP19A1 P11511 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
SCHEMBL14902699 1.00 MEN1 (0.31) MEN1KMT2AGAAHTTCYP17A1
SCHEMBL14892090 0.82 CYP17A1 (0.30) CYP17A1CYP19A1
SCHEMBL319061 0.82 CYP17A1 (0.30) CYP17A1CYP19A1
SCHEMBL319918 0.82 CYP17A1 (0.30) CYP17A1CYP19A1
SCHEMBL320018 0.82 MEN1 (0.36) MEN1KMT2AGAAHTT
SCHEMBL10278534 0.82 MEN1 (0.36) MEN1KMT2AGAAHTT
SCHEMBL14902777 0.80 MEN1 (0.30) MEN1KMT2A
SCHEMBL319390 0.80 MEN1 (0.32) MEN1KMT2AGAAHTT
SCHEMBL14902778 0.79
SCHEMBL319330 0.78 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