SCHEMBL366560

SCHEMBL366560

C=CCOC(=O)c1c2ccc(OC(=O)N3CCOCC3)cc2n2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
EPHX1 P07099 2/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 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
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL365015 0.88 ALDH1A1 (0.58) KDM4EALDH1A1EPHX1KMT2AMEN1
SCHEMBL366561 0.85 KMT2A (0.45) KDM4EALDH1A1EPHX1KMT2AMEN1
SCHEMBL365667 0.83 EPHX1 (0.56) KDM4EALDH1A1EPHX1KMT2AMEN1
SCHEMBL365100 0.83 EPHX1 (0.52) KDM4EALDH1A1EPHX1KMT2AMEN1
SCHEMBL366405 0.80 KMT2A (0.50) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL364757 0.79 ALDH1A1 (0.61) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL10274108 0.79 ALDH1A1 (0.57) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL365561 0.77 ALDH1A1 (0.47) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL365116 0.76 ALDH1A1 (0.52) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL365133 0.76 KMT2A (0.57) KDM4EALDH1A1EPHX1KMT2AMEN1

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 5 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-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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed