SCHEMBL3347474

SCHEMBL3347474

O=C(O)COC(=O)Nc1ccc2c(=O)n(Cc3ccc(Cl)c(Cl)c3)cnc2c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.71
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC2A1 P11166 1/20 0.45

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
SCHEMBL3345815 0.93 SCD (0.80) SCD
SCHEMBL2319700 0.90 SCD (0.68) SCDSMN1; SMN2
SCHEMBL2316986 0.89 SCD (0.86) SCDMAPTSLC2A1
SCHEMBL2317096 0.87 SCD (0.69) SCDMAPTMAPK1SMN1; SMN2SLC2A1
SCHEMBL2311790 0.84 SCD (0.76) SCDMAPT
SCHEMBL2317091 0.83 SCD (0.86) SCDMAPT
SCHEMBL2314537 0.83 SCD (1.00) SCDMAPT
SCHEMBL2316910 0.83 SCD (0.73) SCDSMN1; SMN2
SCHEMBL2317479 0.82 SCD (0.67) SCDMAPTSLC2A1
SCHEMBL2313190 0.81 SCD (1.00) SCDMAPT

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-2010056230-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2010-05-20 WO disclosed