SCHEMBL365447

SCHEMBL365447

CCOC(=O)c1c2cc(C)c(OS(C)(=O)=O)cc2n2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.51
ALDH1A1 P00352 10/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 6/20 0.51
MEN1 O00255 5/20 0.51
SAE1 Q9UBE0 2/20 0.51
UBA2 Q9UBT2 2/20 0.51
APAF1 O14727 1/20 0.51
G6PD P11413 1/20 0.51
PABPC1 P11940 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
CYP1A2 P05177 3/20 0.48
IDO1 P14902 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
HBB P68871 1/20 0.48
HIF1A Q16665 1/20 0.48
HPGD P15428 5/20 0.45
GAA P10253 5/20 0.45

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
SCHEMBL366459 0.83 ALDH1A1 (0.65) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL365448 0.79 KDM4E (0.42) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL366103 0.76 ALDH1A1 (0.60) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL364760 0.76 KDM4E (0.63) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL364187 0.75 KDM4E (0.52) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL365009 0.74 ALDH1A1 (0.62) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL364968 0.74 KDM4E (0.70) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL364769 0.74 ALDH1A1 (0.61) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL364208 0.73 ALDH1A1 (0.60) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL367141 0.72 ALDH1A1 (0.67) KDM4EALDH1A1KMT2AMAPTMEN1

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed