SCHEMBL13833302

SCHEMBL13833302

Nc1nc(O)c(N=O)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.66
CDK4 P11802 1/20 0.66
CDK2 P24941 1/20 0.66
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
PABPC1 P11940 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
HIF1A Q16665 1/20 0.43
PNP P00491 1/20 0.41
CASP6 P55212 1/20 0.40

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
SCHEMBL28538636 0.79 CDK1 (1.00) CDK1CDK4CDK2MEN1KMT2A
SCHEMBL12652113 0.76 CDK1 (0.66) CDK1CDK4CDK2MEN1KMT2A
SCHEMBL4572376 0.76 CDK1 (0.66) CDK1CDK4CDK2MEN1KMT2A
SCHEMBL12820920 0.72 KDM4E (0.60) CDK1CDK4CDK2MEN1KMT2A
SCHEMBL7766478 0.69 CDK2 (0.42) CDK1CDK4CDK2MEN1KMT2A
SCHEMBL15907848 0.68 PNP (0.41) CDK1CDK4CDK2MEN1KMT2A
SCHEMBL10780551 0.67 CDK1 (0.53) CDK1CDK4CDK2MEN1KMT2A
SCHEMBL10871152 0.67
SCHEMBL12820938 0.66
SCHEMBL3180710 0.66 CDK1 (0.52) CDK1CDK4CDK2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2707487-B1 RIBOSWITCHES UNIV MANCHESTER (GB) 2017-10-04 EP disclosed
US-20140213779-A1 RIBOSWITCHES THE UNIVERSITY OF MANCHESTER (GB) 2014-07-31 US disclosed
WO-2012153142-A2 RIBOSWITCHES THE UNIVERSITY OF MANCHESTER (GB) 2012-11-15 WO disclosed