SCHEMBL366827

SCHEMBL366827

CN(C)C(=O)Oc1ccc2c(C(=O)O)c3ccccn3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.45
MEN1 O00255 8/20 0.45
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 5/20 0.45
PABPC1 P11940 2/20 0.45
SAE1 Q9UBE0 2/20 0.45
UBA2 Q9UBT2 2/20 0.45
APAF1 O14727 1/20 0.45
G6PD P11413 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.43
S1PR3 Q99500 1/20 0.41
LMNA P02545 4/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL367282 0.89 KMT2A (0.47) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL364801 0.85 ALDH1A1 (0.64) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL365013 0.83 KDM4E (0.58) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL366405 0.82 KMT2A (0.50) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL365639 0.81 KMT2A (0.66) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL365212 0.81 KMT2A (0.39) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL366828 0.80 PKM (0.46) KMT2AALDH1A1PKMRAB9ALMNA
SCHEMBL367733 0.79 KMT2A (0.38) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL367204 0.79 RORC (0.43) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL364206 0.78 KMT2A (0.54) KMT2AMEN1ALDH1A1KDM4EMAPT

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed