SCHEMBL13425331

SCHEMBL13425331

CC1=C(C(=O)OCC2CCCCC2)C(c2cccnc2)NC(=O)N1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
PDE1C Q14123 2/20 0.65
GAA P10253 3/20 0.61
ADORA2B P29275 8/20 0.60
TDP1 Q9NUW8 1/20 0.54
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KIF11 P52732 1/20 0.51

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
SCHEMBL5351543 0.87 KIF11 (0.66) KMT2AGAAADORA2BTDP1TP53
SCHEMBL3391307 0.87 MEN1 (0.79) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3397010 0.82 KIF11 (0.76) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3397385 0.81 MEN1 (0.81) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL13425510 0.81 PDE1C (0.74) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL8479802 0.81 ALDH1A1 (0.59) MEN1KMT2AGAANPSR1
SCHEMBL3395577 0.80 PDE1C (0.82) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3393104 0.79 PDE1C (0.79) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3396126 0.78 PDE1C (0.69) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3435823 0.78 MEN1 (0.65) MEN1KMT2APDE1CGAAADORA2B

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 1 patent. 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