SCHEMBL364259

SCHEMBL364259

COC(=O)c1c2ccc(C(=O)OCCSC)cc2n2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
SAE1 Q9UBE0 2/20 0.46
UBA2 Q9UBT2 2/20 0.46
PABPC1 P11940 2/20 0.46
APAF1 O14727 1/20 0.46
G6PD P11413 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
IDO1 P14902 4/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
XBP1 P17861 1/20 0.40
MPI P34949 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 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
SCHEMBL367007 0.88 TDP1 (0.44) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL366411 0.85 TDP1 (0.47) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL364926 0.85 MAPT (0.49) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL364260 0.83 NR4A2 (0.43) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL364280 0.81 MAPT (0.47) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL364338 0.81 MAPT (0.47) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL365029 0.80 MAPT (0.50) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL366337 0.80 MAPT (0.47) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL366311 0.79 TDP1 (0.49) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL364264 0.78 MAPT (0.46) MAPTKMT2AMEN1KDM4EALDH1A1

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