SCHEMBL319117

SCHEMBL319117

CC1CC(NCc2ccccc2)CC(c2ccncc2[N+](=O)[O-])O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GRIN2B Q13224 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL1910640 1.00 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AGRIN2BBCHE
SCHEMBL1910827 0.88 MEN1 (0.35) ALDH1A1MEN1KMT2AGRIN2BBCHE
SCHEMBL1910887 0.83 KDM4E (0.38) ALDH1A1MEN1KMT2AGRIN2BBCHE
SCHEMBL1911223 0.82 FUCA1 (0.42) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL319206 0.82 FUCA1 (0.42) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL1911232 0.81 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AGRIN2BBCHE
SCHEMBL1911093 0.80 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL319340 0.80 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL10278488 0.79 FUCA1 (0.39) ALDH1A1MEN1KMT2AHTTGAA
SCHEMBL319229 0.79 FUCA1 (0.39) ALDH1A1MEN1KMT2AHTTGAA

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