SCHEMBL366180

SCHEMBL366180

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.43
ALDH1A1 P00352 9/20 0.43
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
KDM4E B2RXH2 7/20 0.43
SAE1 Q9UBE0 2/20 0.43
UBA2 Q9UBT2 2/20 0.43
PABPC1 P11940 2/20 0.43
APAF1 O14727 1/20 0.43
G6PD P11413 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
IDO1 P14902 4/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
USP2 O75604 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
SCHEMBL365898 0.89 MAPT (0.43) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL366187 0.88 MAPT (0.42) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL364532 0.84 MAPT (0.45) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL366181 0.83 KMT2A (0.41) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL364928 0.76 MAPT (0.45) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL365900 0.76 MAPT (0.43) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL364930 0.75 MAPT (0.51) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL364926 0.75 MAPT (0.49) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL367526 0.75 MAPT (0.44) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL7325858 0.75 IDO1 (0.56) MAPTALDH1A1KMT2AMEN1KDM4E

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