SCHEMBL365448

SCHEMBL365448

CCOC(=O)c1c2ccccc2n2cc(OS(C)(=O)=O)c(C)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 7/20 0.42
ELANE P08246 5/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
APAF1 O14727 1/20 0.40
G6PD P11413 1/20 0.40
PABPC1 P11940 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
HPGD P15428 2/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL366460 0.82 KDM4E (0.46) KDM4EALDH1A1ELANEMAPTMEN1
SCHEMBL365447 0.79 KDM4E (0.51) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL364188 0.74 KDM4E (0.48) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL366104 0.74 CA9 (0.46) KDM4EALDH1A1ELANEMAPTMEN1
SCHEMBL364761 0.73 KDM4E (0.52) KDM4EALDH1A1ELANEMAPTMEN1
SCHEMBL366459 0.73 ALDH1A1 (0.65) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL365010 0.72 KDM4E (0.44) KDM4EALDH1A1ELANEMAPTMEN1
SCHEMBL364770 0.72 ELANE (0.48) KDM4EALDH1A1ELANEMAPTMEN1
SCHEMBL364969 0.72 KDM4E (0.53) KDM4EALDH1A1ELANEMAPTMEN1
SCHEMBL364209 0.71 KDM4E (0.43) KDM4EALDH1A1ELANEMAPTMEN1

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