SCHEMBL3392870

SCHEMBL3392870

CCCCCNc1ccc(C2NC(=O)NC(CC)=C2C(=O)OCC2CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PDE1C Q14123 2/20 0.49
GAA P10253 3/20 0.49
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
ADORA2B P29275 4/20 0.45
TP53 P04637 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
SCHEMBL3395563 0.99 MEN1 (0.56) MEN1KMT2APDE1CGAAHSD17B10
SCHEMBL3398315 0.97 MEN1 (0.58) MEN1KMT2APDE1CGAAHSD17B10
SCHEMBL3435815 0.94 MEN1 (0.60) MEN1KMT2APDE1CGAAHSD17B10
SCHEMBL13425525 0.92 MEN1 (0.55) MEN1KMT2APDE1CGAAHSD17B10
Hydrochloric Acid SCHEMBL3395397 0.91 MEN1 (0.54) MEN1KMT2APDE1CGAAHSD17B10
SCHEMBL3395695 0.90 MEN1 (0.59) MEN1KMT2APDE1CGAAHSD17B10
SCHEMBL13425665 0.88 MEN1 (0.50) MEN1KMT2APDE1CGAAHSD17B10
SCHEMBL13425710 0.87 MEN1 (0.52) MEN1KMT2APDE1CGAAHSD17B10
SCHEMBL3398047 0.87 MEN1 (0.60) MEN1KMT2APDE1CGAAHSD17B10
SCHEMBL13425368 0.86 MEN1 (0.54) MEN1KMT2APDE1CGAAHSD17B10

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