SCHEMBL365519

SCHEMBL365519

CC(=O)c1ccc2c(C(=O)NS(=O)(=O)c3ccc(C)cc3)c3ccccn3c2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 2/20 0.45
CYP2C9 P11712 1/20 0.44
PTGS2 P35354 5/20 0.43
TP53 P04637 1/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
FLT1 P17948 4/20 0.42
FLT4 P35916 4/20 0.42
KDR P35968 4/20 0.42
PTGS1 P23219 1/20 0.41
EGFR P00533 3/20 0.41
KCNA5 P22460 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
SCHEMBL365931 0.90 MAPT (0.47) TP53MAPTHPGDFLT1FLT4
SCHEMBL366382 0.85 HPGD (0.38) KMT2AMEN1POLBTP53RECQL
SCHEMBL366977 0.85 SCN9A (0.46) KMT2AMEN1MAPTHPGD
SCHEMBL365520 0.83 POLB (0.46) KMT2AMEN1POLBCYP2C9PTGS2
SCHEMBL365440 0.83 MAPT (0.41) KMT2AMEN1CYP2C9TP53MAPT
SCHEMBL366252 0.80 ALDH1A1 (0.39) KMT2AMEN1CYP2C9TP53MAPT
SCHEMBL366209 0.79 HPGD (0.46) KMT2AMEN1TP53MAPTHPGD
SCHEMBL364820 0.79 KMT2A (0.46) KMT2AMEN1POLBCYP2C9PTGS2
SCHEMBL364815 0.78 PTPN1 (0.39) KMT2AMEN1CYP2C9TP53MAPT
SCHEMBL367568 0.78 ALDH1A1 (0.44) KMT2AMEN1TP53MAPTHPGD

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