SCHEMBL6523725

SCHEMBL6523725

CC(=O)OCC(CCn1cnc2c(Cl)nc(Nc3ccccc3)nc21)COC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ADRA1A P35348 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
P2RY1 P47900 1/20 0.42
PDGFRA P16234 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
YTHDC1 Q96MU7 1/20 0.38
TK1 P04183 1/20 0.38
FLT3 P36888 1/20 0.38
DUT P33316 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
SCHEMBL8537871 0.87 HDAC1 (0.42) HDAC1HDAC2HDAC8HDAC6YTHDC1
SCHEMBL14334376 0.86 ALDH1A1 (0.53) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8539832 0.85 TK1 (0.46) HDAC1HDAC2HDAC8HDAC6YTHDC1
SCHEMBL14331795 0.83 ALDH1A1 (0.55) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL14334463 0.82 ALDH1A1 (0.56) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL30114962 0.81 KDM4E (0.67) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL3155583 0.81 KDM4E (0.67) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL8538543 0.77 HDAC1 (0.52) HDAC1HDAC2HDAC8HDAC6YTHDC1
SCHEMBL8539778 0.75 CDK1 (0.49)
SCHEMBL28434898 0.74 KDM4E (0.54) KDM4EALDH1A1HPGDADRA1AHSD17B10

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
EP-1556383-A1 PROCESS FOR PREPARING FAMCICLOVIR TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-07-27 EP disclosed
WO-2005026167-A1 PROCESS FOR PREPARING FAMCICLOVIR TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-03-24 WO disclosed