SCHEMBL3395577

SCHEMBL3395577

COc1cccc(C2NC(=O)NC(C)=C2C(=O)OCC2CCCCC2)c1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 2/20 0.82
L3MBTL1 Q9Y468 1/20 0.75
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
GAA P10253 3/20 0.71
ADORA2B P29275 5/20 0.59
KIF11 P52732 1/20 0.58
NPSR1 Q6W5P4 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL3393104 0.90 PDE1C (0.79) PDE1CL3MBTL1MEN1KMT2AGAA
SCHEMBL3397010 0.88 KIF11 (0.76) PDE1CL3MBTL1MEN1KMT2AGAA
SCHEMBL13425516 0.88 PDE1C (0.75) PDE1CL3MBTL1MEN1KMT2AGAA
SCHEMBL3399108 0.88 PDE1C (0.81) PDE1CL3MBTL1MEN1KMT2AGAA
SCHEMBL3395610 0.87 KIF11 (0.75) PDE1CL3MBTL1GAAKIF11NPSR1
SCHEMBL19752619 0.87 KIF11 (0.75) PDE1CL3MBTL1GAAKIF11NPSR1
SCHEMBL13425510 0.87 PDE1C (0.74) PDE1CL3MBTL1MEN1KMT2AGAA
SCHEMBL3391307 0.86 MEN1 (0.79) PDE1CMEN1KMT2AGAAADORA2B
SCHEMBL3396126 0.83 PDE1C (0.69) PDE1CL3MBTL1MEN1KMT2AGAA
SCHEMBL3397385 0.81 MEN1 (0.81) PDE1CMEN1KMT2AGAAADORA2B

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed