SCHEMBL3399089

SCHEMBL3399089

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
PDE1C Q14123 2/20 0.52
GAA P10253 7/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ADORA2B P29275 2/20 0.44
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL3399249 0.93 MEN1 (0.52) KMT2AMEN1PDE1CGAAALDH1A1
SCHEMBL13425376 0.92 MEN1 (0.55) KMT2AMEN1PDE1CGAAALDH1A1
SCHEMBL3398352 0.90 MEN1 (0.55) KMT2AMEN1PDE1CGAAALDH1A1
SCHEMBL3435256 0.89 GAA (0.56) KMT2AMEN1PDE1CGAAALDH1A1
SCHEMBL3394396 0.88 MEN1 (0.58) KMT2AMEN1PDE1CGAAALDH1A1
SCHEMBL13425565 0.88 MEN1 (0.55) KMT2AMEN1PDE1CGAAALDH1A1
SCHEMBL3397339 0.86 GAA (0.60) KMT2AMEN1PDE1CGAAALDH1A1
SCHEMBL3393193 0.86 GAA (0.49) KMT2AMEN1PDE1CGAAALDH1A1
SCHEMBL3398250 0.85 MEN1 (0.55) KMT2AMEN1PDE1CGAAALDH1A1
SCHEMBL3392505 0.85 MEN1 (0.58) KMT2AMEN1PDE1CGAAALDH1A1

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