SCHEMBL3405495

SCHEMBL3405495

COC(=O)c1ccccc1-n1cc(O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.56
KMT2A Q03164 6/20 0.50
LMNA P02545 4/20 0.50
TSHR P16473 3/20 0.50
MEN1 O00255 3/20 0.50
MYC P01106 1/20 0.50
HSP90AA1 P07900 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 3/20 0.47
THRB P10828 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
BRD4 O60885 1/20 0.44

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
SCHEMBL3409107 0.84 GAA (0.44) NR4A2KMT2ALMNATSHRMYC
SCHEMBL3405019 0.84 POLB (0.42) NR4A2KMT2ALMNAMEN1ALDH1A1
SCHEMBL17782448 0.82 NR4A2 (0.70) NR4A2KMT2ALMNATSHRMEN1
SCHEMBL4137522 0.79 NR4A2 (0.66) NR4A2KMT2ALMNATSHRMEN1
SCHEMBL3408328 0.78 POLB (0.50) KMT2AMEN1HSP90AA1ALDH1A1MAPT
SCHEMBL15741431 0.78 HSP90AA1 (0.50) NR4A2KMT2ALMNATSHRMEN1
SCHEMBL11926706 0.77 MYC (0.66) NR4A2KMT2ALMNATSHRMEN1
SCHEMBL6303368 0.77 MYC (0.53) NR4A2KMT2ALMNATSHRMEN1
SCHEMBL440604 0.76 NR4A2 (0.66) NR4A2KMT2ALMNAMEN1ALDH1A1
SCHEMBL3407920 0.76 LMNA (0.48) KMT2ALMNATSHRMEN1ALDH1A1

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