SCHEMBL3394409

SCHEMBL3394409

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(N)c(Cl)c2)NC(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
PDE1C Q14123 2/20 0.55
GAA P10253 4/20 0.54
TP53 P04637 3/20 0.48
ADORA2B P29275 4/20 0.46
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CREBBP Q92793 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 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
SCHEMBL3398250 0.93 MEN1 (0.55) MEN1KMT2APDE1CGAATP53
SCHEMBL13425728 0.91 MEN1 (0.58) MEN1KMT2APDE1CGAATP53
SCHEMBL3394396 0.91 MEN1 (0.58) MEN1KMT2APDE1CGAATP53
SCHEMBL3395671 0.90 GAA (0.60) MEN1KMT2APDE1CGAATP53
SCHEMBL3396532 0.90 GAA (0.62) MEN1KMT2APDE1CGAATP53
SCHEMBL3398322 0.89 GAA (0.59) MEN1KMT2APDE1CGAATP53
SCHEMBL13425549 0.89 MEN1 (0.59) MEN1KMT2APDE1CGAATP53
SCHEMBL3397339 0.88 GAA (0.60) MEN1KMT2APDE1CGAATP53
SCHEMBL3434652 0.87 MEN1 (0.64) MEN1KMT2APDE1CGAATP53
SCHEMBL13426150 0.87 MEN1 (0.59) MEN1KMT2APDE1CGAATP53

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