SCHEMBL3409511

SCHEMBL3409511

COc1cc(N(C)C)ccc1C=C1Nc2cc(Cl)c(Br)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ APP P05067 1/20 0.42
▸ MDM2 Q00987 4/20 0.39
▸ CYBB P04839 1/20 0.38
▸ NOX4 Q9NPH5 1/20 0.38
▸ 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
▸ TYR P14679 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ BACE1 P56817 3/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL3409509 1.00 MAPT (0.42) MAPTAPPMDM2CYBBNOX4
SCHEMBL3402879 0.84 MDM2 (0.48) MAPTAPPMDM2CYBBNOX4
SCHEMBL3402877 0.84 MDM2 (0.48) MAPTAPPMDM2CYBBNOX4
SCHEMBL154460 0.81 MDM2 (0.39) MAPTAPPMDM2CYBBNOX4
SCHEMBL154459 0.81 MDM2 (0.39) MAPTAPPMDM2CYBBNOX4
SCHEMBL154461 0.81 MDM2 (0.39) MAPTAPPMDM2CYBBNOX4
SCHEMBL153106 0.80 MDM2 (0.54) MAPTAPPMDM2CYBBNOX4
SCHEMBL153105 0.80 MDM2 (0.54) MAPTAPPMDM2CYBBNOX4
SCHEMBL14889480 0.78 CYBB (0.41) MAPTMDM2CYBBNOX4MAPK1
SCHEMBL3405296 0.78 CYBB (0.41) MAPTMDM2CYBBNOX4MAPK1

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
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 — — EP disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 — — EP disclosed
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