SCHEMBL8109045

SCHEMBL8109045

CC(C)C(c1ccc(=O)[nH]c1)c1nc(COC(N)=O)[nH]c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.32

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
SCHEMBL8108927 0.92
SCHEMBL8116150 0.90
SCHEMBL8115381 0.90 PDE2A (0.33) PDE2A
SCHEMBL8108530 0.86
SCHEMBL5853041 0.86 GSK3B (0.31)
SCHEMBL8102069 0.86
SCHEMBL8100145 0.83 CCNE2 (0.34)
SCHEMBL6957035 0.83 KCNA5 (0.35)
SCHEMBL8114664 0.81
SCHEMBL6559014 0.81 TYMS (0.32)

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
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed