SCHEMBL3218696

SCHEMBL3218696

COC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccc(OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
ALDH1A1 P00352 5/20 0.68
HSD17B10 Q99714 4/20 0.68
GAA P10253 3/20 0.68
HPGD P15428 3/20 0.68
LMNA P02545 2/20 0.68
HTT P42858 2/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TSHR P16473 3/20 0.62
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ADORA3 P0DMS8 2/20 0.56
TP53 P04637 1/20 0.56
CACNA1F O60840 4/20 0.52
CACNA1D Q01668 4/20 0.52
CACNA1S Q13698 4/20 0.52

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
SCHEMBL11817128 0.94 KDM4E (0.76) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL7815188 0.93 ALDH1A1 (0.68) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL9401767 0.89 KDM4E (0.68) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL8340560 0.86 CACNA1F (0.69) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL11822298 0.84 HSD17B10 (0.61) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL7436006 0.82 TSHR (0.72) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL28735886 0.81 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL9064391 0.81 ADORA3 (0.78) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL7814802 0.81 KDM4E (1.00) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL16137718 0.80 TSHR (0.70) KDM4EALDH1A1HSD17B10GAAHPGD

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
US-20100028912-A1 IMAGING USING RADIOACTIVE MONOCATIONS IN COMBINATION WITH A RECEPTOR BINDING LIGAND THAT STIMULATES THE INFLUX OF CATIONS BRACCO IMAGING S.P.A. (IT) 2010-02-04 US disclosed
EP-2121037-A2 IMAGING USING RADIOACTIVE MONOCATIONS IN COMBINATION WITH A RECEPTOR BINDING LIGAND THAT STIMULATES THE INFLUX OF CATIONS BRACCO IMAGING S.p.A. (IT) 2009-11-25 EP disclosed
WO-2008082545-A2 IMAGING USING RADIOACTIVE MONOCATIONS IN COMBINATION WITH A RECEPTOR BINDING LIGAND THAT STIMULATES THE INFLUX OF CATIONS BRACCO IMAGING S.P.A. (IT) 2008-07-10 WO disclosed