SCHEMBL366187

SCHEMBL366187

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
KMT2A Q03164 7/20 0.42
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 6/20 0.42
KDM4E B2RXH2 6/20 0.42
SAE1 Q9UBE0 2/20 0.42
UBA2 Q9UBT2 2/20 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
IDO1 P14902 6/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
XBP1 P17861 1/20 0.37
MPI P34949 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL366180 0.88 MAPT (0.43) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL365898 0.88 MAPT (0.43) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL366188 0.83 NR4A2 (0.39) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL364532 0.82 MAPT (0.45) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL364218 0.80 ALDH1A1 (0.44) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL365521 0.78 KMT2A (0.43) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL366411 0.77 TDP1 (0.47) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL361356 0.76 EGFR (0.47) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL365900 0.76 MAPT (0.43) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL366304 0.76 MAPT (0.44) 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 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