SCHEMBL16199455

SCHEMBL16199455

CCCOCCOC(=O)c1cc(/C=N/N=C/c2ccc(O)c(OCC)c2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.47
GAA P10253 6/20 0.46
TOP2A P11388 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 4/20 0.44
RAB9A P51151 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
POLB P06746 4/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL16199453 0.93 MEN1 (0.67) MEN1KMT2AALPIALPGL3MBTL1
SCHEMBL12590244 0.87 PTGS2 (0.48) MEN1KMT2AALPIALPGL3MBTL1
SCHEMBL2608355 0.87 CA12 (0.46) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL16229590 0.86 L3MBTL1 (0.41) MEN1KMT2AALPIALPGL3MBTL1
SCHEMBL12557388 0.86 CA12 (0.42) MEN1KMT2AALPIALPGL3MBTL1
SCHEMBL12557391 0.85 L3MBTL1 (0.41) MEN1KMT2AALPIALPGL3MBTL1
SCHEMBL12590052 0.84 L3MBTL1 (0.42) MEN1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL12590033 0.83 MEN1 (0.72) MEN1KMT2AALPIALPGL3MBTL1
SCHEMBL12590241 0.82 L3MBTL1 (0.39) MEN1KMT2AALPIALPGL3MBTL1
SCHEMBL12557372 0.82 L3MBTL1 (0.39) MEN1KMT2AALPIALPGL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871977-B2 Asymmetric azine compound and method for producing the same ZEON CORPORATION (JP) 2014-10-28 US disclosed