SCHEMBL365028

SCHEMBL365028

COC(=O)c1c2ccc(C(=S)N(C)C)cc2n2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
KMT2A Q03164 9/20 0.46
ALDH1A1 P00352 9/20 0.46
MEN1 O00255 8/20 0.46
KDM4E B2RXH2 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 0.43
USP2 O75604 1/20 0.41
HPGD P15428 4/20 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
CYP2C9 P11712 2/20 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
SCHEMBL365249 0.88 MAPT (0.45) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL364926 0.86 MAPT (0.49) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL365483 0.86 MAPT (0.44) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL364873 0.85 ALDH1A1 (0.46) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL365891 0.85 MAPT (0.44) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL364280 0.84 MAPT (0.47) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL364338 0.84 MAPT (0.47) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL364918 0.84 MAPT (0.44) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL366487 0.83 MAPT (0.50) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL364264 0.82 MAPT (0.46) MAPTKMT2AALDH1A1MEN1KDM4E

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 3 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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed