SCHEMBL3399249

SCHEMBL3399249

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PDE1C Q14123 2/20 0.52
GAA P10253 8/20 0.51
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TP53 P04637 2/20 0.45
ADORA2B P29275 3/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 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
SCHEMBL3399089 0.93 KMT2A (0.52) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL13425376 0.92 MEN1 (0.55) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3435256 0.90 GAA (0.56) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL13425565 0.90 MEN1 (0.55) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3394396 0.88 MEN1 (0.58) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3398352 0.88 MEN1 (0.55) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3396532 0.86 GAA (0.62) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3394409 0.85 MEN1 (0.55) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3392505 0.85 MEN1 (0.58) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3397339 0.84 GAA (0.60) MEN1KMT2APDE1CGAAALDH1A1

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