SCHEMBL3435151

SCHEMBL3435151

CCC1=C(C(=O)OCC2CCCCC2)C(c2cccc(F)c2)NC(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
PDE1C Q14123 2/20 0.59
PKM P14618 2/20 0.56
GAA P10253 4/20 0.54
KIF11 P52732 1/20 0.48
ADORA2B P29275 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL3394377 0.90 MEN1 (0.62) MEN1KMT2APDE1CPKMGAA
SCHEMBL13425966 0.89 KIF11 (0.62) MEN1KMT2APDE1CGAAKIF11
SCHEMBL3398042 0.89 KIF11 (0.62) MEN1KMT2APDE1CGAAKIF11
SCHEMBL13426215 0.89 KIF11 (0.62) MEN1KMT2APDE1CGAAKIF11
SCHEMBL3392331 0.88 PDE1C (0.59) MEN1KMT2APDE1CGAAKIF11
SCHEMBL13425521 0.88 PDE1C (0.59) MEN1KMT2APDE1CGAAKIF11
SCHEMBL13426120 0.88 PDE1C (0.59) MEN1KMT2APDE1CGAAKIF11
SCHEMBL3394451 0.88 KIF11 (0.64) MEN1KMT2APDE1CGAAKIF11
SCHEMBL3393538 0.88 MEN1 (0.78) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3396513 0.87 PDE1C (0.61) MEN1KMT2APDE1CGAAKIF11

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