SCHEMBL320692

SCHEMBL320692

CC1OC(c2ccncc2[N+](=O)[O-])CC(NCc2ccccc2)C1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.33
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30
POLB P06746 1/20 0.30
FUCA1 P04066 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL14902691 1.00 KDM1A (0.33) KDM1AMAOAMAOBALDH1A1MEN1
SCHEMBL14906116 0.90 MEN1 (0.32) KDM1AMAOAMAOBALDH1A1MEN1
SCHEMBL1911223 0.83 FUCA1 (0.42) KDM1AMAOAMAOBALDH1A1MEN1
SCHEMBL319206 0.83 FUCA1 (0.42) KDM1AMAOAMAOBALDH1A1MEN1
SCHEMBL14902626 0.82 MEN1 (0.32) MEN1KMT2AHTT
SCHEMBL14902623 0.82 MEN1 (0.32) MEN1KMT2AHTT
SCHEMBL14902622 0.80 MEN1 (0.31) MEN1KMT2AHTT
SCHEMBL14902621 0.80 MEN1 (0.31) MEN1KMT2AHTT
SCHEMBL319110 0.79 FUCA1 (0.38) KDM1AMAOAMAOBALDH1A1MEN1
SCHEMBL1911145 0.79 FUCA1 (0.38) KDM1AMAOAMAOBALDH1A1MEN1

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