SCHEMBL366737

SCHEMBL366737

CNS(=O)(=O)c1ccc2c(C(=O)OC)c3ccccn3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.46
MAPT P10636 10/20 0.44
KMT2A Q03164 9/20 0.44
MEN1 O00255 8/20 0.44
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 5/20 0.44
PABPC1 P11940 2/20 0.44
SAE1 Q9UBE0 2/20 0.44
UBA2 Q9UBT2 2/20 0.44
APAF1 O14727 1/20 0.44
G6PD P11413 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
USP2 O75604 1/20 0.42
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL365825 0.88 IDO1 (0.48) IDO1MAPTKMT2AMEN1ALDH1A1
SCHEMBL365426 0.87 MAPT (0.47) IDO1MAPTKMT2AMEN1ALDH1A1
SCHEMBL364786 0.86 IDO1 (0.46) IDO1MAPTKMT2AMEN1ALDH1A1
SCHEMBL364185 0.84 IDO1 (0.45) IDO1MAPTKMT2AMEN1ALDH1A1
SCHEMBL366738 0.83 KMT2A (0.46) IDO1MAPTKMT2AMEN1ALDH1A1
SCHEMBL366857 0.82 ALDH1A1 (0.44) IDO1MAPTKMT2AMEN1ALDH1A1
SCHEMBL365521 0.80 KMT2A (0.43) IDO1MAPTKMT2AMEN1ALDH1A1
SCHEMBL364926 0.80 MAPT (0.49) IDO1MAPTKMT2AMEN1ALDH1A1
SCHEMBL364930 0.80 MAPT (0.51) IDO1MAPTKMT2AMEN1ALDH1A1
SCHEMBL364954 0.79 ALDH1A1 (0.42) IDO1MAPTKMT2AMEN1ALDH1A1

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