SCHEMBL154459

SCHEMBL154459

COc1cc(N(C)C)ccc1/C=C1\Nc2ccc(Br)c(Cl)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 4/20 0.39
▸ CYBB P04839 1/20 0.38
▸ NOX4 Q9NPH5 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ APP P05067 1/20 0.37
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ BACE1 P56817 3/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ GLA P06280 1/20 0.33

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
SCHEMBL154461 1.00 MDM2 (0.39) MDM2CYBBNOX4MAPTAPP
SCHEMBL154460 1.00 MDM2 (0.39) MDM2CYBBNOX4MAPTAPP
SCHEMBL14889480 0.83 CYBB (0.41) MDM2CYBBNOX4MAPTBACE1
SCHEMBL3405296 0.83 CYBB (0.41) MDM2CYBBNOX4MAPTBACE1
SCHEMBL3409509 0.81 MAPT (0.42) MDM2CYBBNOX4MAPTAPP
SCHEMBL3409511 0.81 MAPT (0.42) MDM2CYBBNOX4MAPTAPP
SCHEMBL3402877 0.77 MDM2 (0.48) MDM2CYBBNOX4MAPTAPP
SCHEMBL3402879 0.77 MDM2 (0.48) MDM2CYBBNOX4MAPTAPP
SCHEMBL5358811 0.77 MDM2 (0.46) MDM2CYBBNOX4MAPTAPP
SCHEMBL153105 0.75 MDM2 (0.54) MDM2CYBBNOX4MAPTAPP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 — — US disclosed
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 — — EP disclosed
EP-2427431-A1 NOVEL INDICATOR PLATFORM Biosynth AG (CH) 2012-03-14 — — EP disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 — — US disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 — — EP disclosed
WO-2010128120-A1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2010-11-11 — — WO disclosed
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