SCHEMBL364233

SCHEMBL364233

COCCNC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccn3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 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
PABPC1 P11940 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
HPGD P15428 7/20 0.41
PTGER4 P35408 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
POLR1A O95602 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
EGFR P00533 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
SCHEMBL366295 0.94 ALDH1A1 (0.45) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL366389 0.93 ALDH1A1 (0.44) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL364812 0.89 MAPT (0.49) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL366301 0.88 TDP1 (0.46) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL365857 0.88 KMT2A (0.46) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL364295 0.88 HPGD (0.47) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL361356 0.87 EGFR (0.47) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL366311 0.87 TDP1 (0.49) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL364767 0.87 MAPT (0.43) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL366411 0.86 TDP1 (0.47) KDM4EALDH1A1MAPTKMT2AMEN1

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