SCHEMBL366484

SCHEMBL366484

COC(=O)c1c2ccc(C=C[S+](C)[O-])cc2n2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.42
KMT2A Q03164 10/20 0.42
MEN1 O00255 9/20 0.42
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 7/20 0.42
LMNA P02545 3/20 0.42
SAE1 Q9UBE0 2/20 0.42
UBA2 Q9UBT2 2/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
MPI P34949 1/20 0.42
PABPC1 P11940 2/20 0.42
APAF1 O14727 1/20 0.42
G6PD P11413 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL366482 1.00 MAPT (0.42) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL366347 0.83 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL366483 0.82 NR4A2 (0.40) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL364532 0.81 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL364926 0.76 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL364930 0.76 MAPT (0.51) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL367526 0.76 MAPT (0.44) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL7325858 0.75 IDO1 (0.56) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL365564 0.75 KMT2A (0.56) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL366737 0.75 IDO1 (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E

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