SCHEMBL3392278

SCHEMBL3392278

O=C1NC(C2CC2)=C(C(=O)OCC2CCCCC2)C(c2ccc([N+](=O)[O-])cc2)N1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PDE1C Q14123 2/20 0.51
GAA P10253 5/20 0.49
ADORA2B P29275 6/20 0.46
TP53 P04637 1/20 0.46
EPHX2 P34913 1/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3395069 0.89 ALDH1A1 (0.56) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3393994 0.85 MEN1 (0.61) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3392505 0.85 MEN1 (0.58) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3398285 0.79 PDE1C (0.59) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3398282 0.78 PDE1C (0.58) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3396126 0.77 PDE1C (0.69) MEN1KMT2APDE1CGAAADORA2B
SCHEMBL3395226 0.74 ALDH1A1 (0.67) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL19752618 0.74 CA12 (0.68) MEN1KMT2AGAAADORA2BEPHX2
SCHEMBL5339709 0.74 CA12 (0.68) MEN1KMT2AGAAADORA2BEPHX2
SCHEMBL18696940 0.74 L3MBTL1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1

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