SCHEMBL257300

SCHEMBL257300

COC(=O)c1cc2ccccc2c(/N=N/c2ccc(C)cc2)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
MAPT P10636 7/20 0.54
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 4/20 0.54
POLB P06746 3/20 0.54
KDM4E B2RXH2 3/20 0.54
NPC1 O15118 3/20 0.54
CTDSP1 Q9GZU7 2/20 0.54
RECQL P46063 2/20 0.54
IDO1 P14902 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP6 P55212 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 1/20 0.53
MITF O75030 1/20 0.50
NQO2 P16083 1/20 0.50
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 3/20 0.46

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
SCHEMBL14960095 0.92 MAPT (0.59) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL14951043 0.87 MAPT (0.51) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL5351787 0.86 MEN1 (0.71) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL5351789 0.86 MEN1 (0.71) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL14960078 0.82 ALDH1A1 (0.57) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL13863125 0.82 NQO2 (0.73) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL2180737 0.81 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL20886079 0.81 NQO2 (0.60) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL21784228 0.81 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL12520164 0.80 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1L3MBTL1

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-2611869-B1 DYE-ASCORBIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2014-10-01 EP disclosed
WO-2012028245-A1 DYE-ASCORBIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-08 WO disclosed