SCHEMBL7749458

SCHEMBL7749458

CC(=O)OCC(COC(C)=O)Cn1cnc2c(I)nc(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ADRA1A P35348 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CYP2C19 P33261 1/20 0.42
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
HPRT1 P00492 6/20 0.41
P2RY1 P47900 3/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
SLC29A1 Q99808 1/20 0.39
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 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
SCHEMBL5509440 0.89 KDM4E (0.44) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL5509446 0.89 KDM4E (0.44) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7813547 0.89 KDM4E (0.66) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7749489 0.84 KDM4E (0.49) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL27601878 0.82 CYP2C19 (0.47) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4572438 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7749502 0.80 CCNE1 (0.47) CYP2C19CCNE1CDK2HPRT1P2RY1
SCHEMBL7750980 0.79 KDM4E (0.79) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7749536 0.78 HPRT1 (0.67) ALDH1A1HSD17B10HPRT1
SCHEMBL7745038 0.77 HPRT1 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019404-A4 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMW SCIENT IND RES ORG (AU) 2001-07-04 EP disclosed
EP-1019404-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-07-19 EP disclosed
WO-1999012927-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-03-18 WO disclosed