SCHEMBL3405296

SCHEMBL3405296

COc1cc(N(C)C)ccc1C=C1Nc2cccc(Cl)c2C1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYBB P04839 1/20 0.41
▸ NOX4 Q9NPH5 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ MDM2 Q00987 2/20 0.40
▸ TGM2 P21980 4/20 0.40
▸ AR P10275 3/20 0.39
▸ BACE1 P56817 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14889480 1.00 CYBB (0.41) CYBBNOX4CES1MDM2TGM2
SCHEMBL154459 0.83 MDM2 (0.39) CYBBNOX4MDM2BACE1MAPT
SCHEMBL154460 0.83 MDM2 (0.39) CYBBNOX4MDM2BACE1MAPT
SCHEMBL154461 0.83 MDM2 (0.39) CYBBNOX4MDM2BACE1MAPT
SCHEMBL153105 0.81 MDM2 (0.54) CYBBNOX4MDM2MAPTMAPK1
SCHEMBL153106 0.81 MDM2 (0.54) CYBBNOX4MDM2MAPTMAPK1
SCHEMBL3402877 0.79 MDM2 (0.48) CYBBNOX4CES1MDM2MAPT
SCHEMBL3402879 0.79 MDM2 (0.48) CYBBNOX4CES1MDM2MAPT
SCHEMBL3409509 0.78 MAPT (0.42) CYBBNOX4MDM2BACE1MAPT
SCHEMBL3409511 0.78 MAPT (0.42) CYBBNOX4MDM2BACE1MAPT

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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