SCHEMBL21722604

SCHEMBL21722604

O=C1C=C(O)C(=O)C=C1O.Oc1cc2nc3ccccc3nc2cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46
NQO2 P16083 6/20 0.45
MAPT P10636 8/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 3/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.39
PABPC1 P11940 1/20 0.39
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL29489945 0.83 NQO2 (0.62) MYCMAXNQO2MAPTKMT2A
SCHEMBL2367850 0.83 NQO2 (0.62) MYCMAXNQO2MAPTKMT2A
SCHEMBL9979780 0.71 MAPT (0.46) MYCMAXNQO2MAPTKMT2A
SCHEMBL6206349 0.69 NQO2 (0.71) MYCMAXNQO2MAPTKMT2A
SCHEMBL1913858 0.69 MAPT (0.71) MYCMAXNQO2MAPTKMT2A
SCHEMBL30950408 0.69 MYC (0.46) MYCMAXNQO2MAPTKMT2A
SCHEMBL31601101 0.69 MAPT (0.71) MYCMAXNQO2MAPTKMT2A
SCHEMBL31484242 0.69 MAPT (0.71) MYCMAXNQO2MAPTKMT2A
SCHEMBL12332214 0.69 MYC (0.46) MYCMAXNQO2MAPTKMT2A
SCHEMBL4612924 0.68 MAPT (0.79) MYCMAXNQO2MAPTKMT2A

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
WO-2020035138-A1 REDOX-ACTIVE COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2020-02-20 WO disclosed