SCHEMBL367615

SCHEMBL367615

COC(=O)c1c2c(O)cc(OC(=O)N(C)C)cc2n2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
NCEH1 Q6PIU2 2/20 0.41
MAPT P10636 7/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
PABPC1 P11940 2/20 0.38
APAF1 O14727 1/20 0.38
G6PD P11413 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
PKM P14618 1/20 0.38
PPARG P37231 3/20 0.38
NCOR2 Q9Y618 3/20 0.38
NR2E3 Q9Y5X4 2/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL365212 0.89 KMT2A (0.39) IDO1NCEH1MAPTKMT2AMEN1
SCHEMBL365255 0.88 RAB9A (0.37) NCEH1MAPTKMT2AMEN1ALDH1A1
SCHEMBL367733 0.78 KMT2A (0.38) IDO1NCEH1MAPTKMT2AMEN1
SCHEMBL365489 0.77 KMT2A (0.36) NCEH1KMT2AMEN1ALDH1A1PKM
SCHEMBL367616 0.73 NCEH1 (0.46) NCEH1MAPTKMT2AMEN1ALDH1A1
SCHEMBL364801 0.72 ALDH1A1 (0.64) IDO1MAPTKMT2AMEN1ALDH1A1
SCHEMBL366827 0.72 KMT2A (0.45) NCEH1MAPTKMT2AMEN1ALDH1A1
SCHEMBL367282 0.71 KMT2A (0.47) NCEH1MAPTKMT2AMEN1ALDH1A1
SCHEMBL365188 0.70 CYP11B1 (0.39) KMT2AALDH1A1PKMLMNA
SCHEMBL365249 0.70 MAPT (0.45) IDO1MAPTKMT2AMEN1USP2

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