SCHEMBL13833291

SCHEMBL13833291

Nc1nc(N2CCOCC2)nc(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.57
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ KDM4E B2RXH2 4/20 0.51
▸ HTT P42858 1/20 0.51
▸ PIK3CA P42336 5/20 0.47
▸ MTOR P42345 5/20 0.47
▸ XDH P47989 1/20 0.47
▸ CYP2C19 P33261 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ PIK3R1 P27986 4/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL1994355 0.73 GAA (1.00) GAAKDM4EHTTPIK3CAMTOR
SCHEMBL2776064 0.72 GAA (0.53) GAAKMT2AMEN1POLBKDM4E
SCHEMBL8973821 0.72 HTT (0.63) GAAKMT2AMEN1POLBKDM4E
SCHEMBL1443593 0.71 PIK3CA (0.61) GAAKDM4EHTTPIK3CAMTOR
SCHEMBL1396153 0.71 PKM (0.58) GAAKMT2AKDM4EHTTPIK3CA
SCHEMBL11680654 0.71 MEN1 (0.53) GAAKMT2AMEN1POLBKDM4E
SCHEMBL9418611 0.70 HTT (0.61) GAAKMT2AMEN1POLBKDM4E
SCHEMBL8607492 0.70 KDM4E (0.57) GAAKMT2AKDM4EHTTPIK3CA
Hydrochloric Acid SCHEMBL30702225 0.70 PIK3CA (0.59) GAAKDM4EHTTPIK3CAMTOR
SCHEMBL1458406 0.68 PIK3CA (0.54) GAAKMT2AKDM4EHTTPIK3CA

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 4 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
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
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