SCHEMBL13425565

SCHEMBL13425565

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PDE1C Q14123 2/20 0.52
GAA P10253 7/20 0.51
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADORA2B P29275 4/20 0.46
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL3398352 0.93 MEN1 (0.55) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL13425376 0.92 MEN1 (0.55) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3435256 0.90 GAA (0.56) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3399249 0.90 MEN1 (0.52) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3395886 0.88 MEN1 (0.62) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3399089 0.88 KMT2A (0.52) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL13426254 0.86 GAA (0.62) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL13425549 0.85 MEN1 (0.59) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3392505 0.85 MEN1 (0.58) MEN1KMT2APDE1CGAAALDH1A1
SCHEMBL3394305 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 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