SCHEMBL13729285

SCHEMBL13729285

CNC(=O)c1cc(=O)[nH]c(Cc2ccccc2C(F)(F)F)n1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 20/20 0.53

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
SCHEMBL13730825 0.85 PDE2A (0.44) PDE2A
SCHEMBL9616518 0.72 GPR84 (0.47) PDE2A
SCHEMBL21985328 0.70 PDE2A (0.72) PDE2A
SCHEMBL16868293 0.69 PDE2A (1.00) PDE2A
SCHEMBL13727088 0.69 PDE2A (0.65) PDE2A
SCHEMBL438172 0.68 POLB (0.59)
SCHEMBL3495651 0.68 PDE5A (0.60)
SCHEMBL7887063 0.68 AR (0.49)
SCHEMBL29195792 0.67 AR (0.45)
SCHEMBL3494121 0.67 KMT2A (0.55)

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
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO disclosed