SCHEMBL2996742

SCHEMBL2996742

Nc1nc(N2CCOCC2)c2ncn(CC3(OC(CC(F)(F)F)CC(F)(F)F)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 1/20 0.43
PIK3CA P42336 3/20 0.39
MTOR P42345 2/20 0.39
TLR9 Q9NR96 4/20 0.39
TLR7 Q9NYK1 4/20 0.39
HRH4 Q9H3N8 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
CNR2 P34972 3/20 0.36
STAT3 P40763 1/20 0.35
PDE10A Q9Y233 2/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL2996736 0.83 HDAC1 (0.45) HDAC1HDAC2PIK3CAMTORTLR9
SCHEMBL3005664 0.83 CCNE1 (0.49) HDAC1
SCHEMBL2999182 0.81 CCNE1 (0.36)
SCHEMBL3288528 0.80 HDAC1 (0.44) HDAC1HDAC2PIK3CAMTORTLR9
SCHEMBL2995698 0.80 HSP90AB1 (0.42)
SCHEMBL3000253 0.79 PDE4A (0.38)
SCHEMBL2988384 0.77 CDK1 (0.36) HDAC1HDAC2TLR7CNR2
SCHEMBL3287756 0.77 HDAC1 (0.47) HDAC1HDAC2PIK3CAMTORTLR9
SCHEMBL4277756 0.77 HDAC1 (0.45) HDAC1HDAC2PIK3CAMTORTLR9
SCHEMBL2996932 0.75 CYP1A2 (0.40) HRH4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP claimed