SCHEMBL320018

SCHEMBL320018

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.33
HTT P42858 4/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.32
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL10278534 1.00 MEN1 (0.36) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL14902699 0.82 MEN1 (0.31) MEN1KMT2AHTTGAA
SCHEMBL319269 0.82 MEN1 (0.31) MEN1KMT2AHTTGAA
SCHEMBL14891525 0.81 MEN1 (0.35) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL320562 0.81 MEN1 (0.35) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL1911227 0.81 MEN1 (0.35) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL1911116 0.78 MEN1 (0.36) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL14902769 0.78 MEN1 (0.36) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL1910806 0.77 MEN1 (0.38) MEN1KMT2AALDH1A1HTTGAA
SCHEMBL319433 0.77 MEN1 (0.38) MEN1KMT2AALDH1A1HTTGAA

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