SCHEMBL3402996

SCHEMBL3402996

COc1cc(N(C)C)ccc1/C=C1\Nc2ccccc2C1=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 2/20 0.48
▸ CYBB P04839 3/20 0.47
▸ NOX4 Q9NPH5 3/20 0.47
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 6/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CSNK1D P48730 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CSNK1A1 P48729 2/20 0.39
▸ CSNK1E P49674 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GMNN O75496 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ HPGD P15428 2/20 0.39

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
SCHEMBL3403001 1.00 MDM2 (0.48) MDM2CYBBNOX4NPC1MAPT
SCHEMBL153105 0.85 MDM2 (0.54) MDM2CYBBNOX4NPC1MAPT
SCHEMBL153106 0.85 MDM2 (0.54) MDM2CYBBNOX4NPC1MAPT
SCHEMBL3402526 0.85 MDM2 (0.48) MDM2CYBBNOX4NPC1MAPT
SCHEMBL3402528 0.85 MDM2 (0.48) MDM2CYBBNOX4NPC1MAPT
SCHEMBL14889480 0.72 CYBB (0.41) MDM2CYBBNOX4MAPTMAPK1
SCHEMBL3405296 0.72 CYBB (0.41) MDM2CYBBNOX4MAPTMAPK1
SCHEMBL3402877 0.71 MDM2 (0.48) MDM2CYBBNOX4MAPTMAPK1
SCHEMBL3402879 0.71 MDM2 (0.48) MDM2CYBBNOX4MAPTMAPK1
SCHEMBL10848654 0.70 TYR (0.57) MDM2NPC1MAPTMAPK1TDP1

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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