SCHEMBL365838

SCHEMBL365838

CCc1ccc2c(C(=O)OCCN(C)C)c3ccccn3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 4/20 0.49
SAE1 Q9UBE0 2/20 0.49
UBA2 Q9UBT2 2/20 0.49
APAF1 O14727 1/20 0.49
G6PD P11413 1/20 0.49
PABPC1 P11940 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
HPGD P15428 3/20 0.43
LMNA P02545 1/20 0.43
XBP1 P17861 1/20 0.43
MPI P34949 1/20 0.43
POLR1A O95602 1/20 0.42
GAA P10253 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL364886 0.88 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL366311 0.88 TDP1 (0.49) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL366407 0.88 KMT2A (0.48) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL365800 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL366762 0.86 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL365410 0.86 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL366835 0.86 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL367113 0.86 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL365532 0.85 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL364909 0.85 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTKDM4E

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