SCHEMBL325619

SCHEMBL325619

CC1O[C@@H](c2ccncc2[N+](=O)[O-])C[C@@H](O)C1(O)CO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL1910590 1.00 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL1911108 0.92 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL1911089 0.92 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL319630 0.92 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL10278816 0.86 MEN1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL319483 0.86 MEN1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL14902743 0.84 MEN1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL14902742 0.80 MEN1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL10278541 0.79 MEN1 (0.30) MEN1KMT2A
SCHEMBL319155 0.79 MEN1 (0.30) MEN1KMT2A

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