SCHEMBL13833239

SCHEMBL13833239

Nc1nc2ncncc2c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
THRB P10828 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.46
PNP P00491 2/20 0.46
PDE5A O76074 1/20 0.44
QTRT1 Q9BXR0 1/20 0.43
AKR1B1 P15121 1/20 0.43
DYRK1A Q13627 1/20 0.42
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
PMP22 Q01453 1/20 0.41
NOS1 P29475 3/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL29774108 0.83 PDE5A (0.37) KDM4EALDH1A1HSD17B10THRBMEN1
SCHEMBL26018337 0.79 PDE5A (0.44) MEN1KMT2APDE5A
SCHEMBL12102096 0.79 PDE5A (0.47) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL1623385 0.78 PDE5A (0.44) PDE5A
SCHEMBL3663889 0.77 PDE5A (0.41) PDE5AAKR1B1
SCHEMBL5632 0.73 NUDT1 (0.50) KDM4EALDH1A1HSD17B10THRBMEN1
SCHEMBL30388675 0.73 NUDT1 (0.50) KDM4EALDH1A1HSD17B10THRBMEN1
SCHEMBL13916085 0.72 CYP1A2 (0.51) KDM4EALDH1A1HSD17B10THRBMEN1
SCHEMBL10813052 0.72 CYP1A2 (0.59) KDM4EALDH1A1HSD17B10THRBMEN1
SCHEMBL744451 0.72 CYP1A2 (0.48) KDM4EALDH1A1HSD17B10THRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220090096-A1 GENETIC CONSTRUCT UNIV NOTTINGHAM (GB) 2022-03-24 US disclosed
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