SCHEMBL3345815

SCHEMBL3345815

O=C(O)COC(=O)Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.80
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL3347474 0.93 SCD (0.71) SCD
SCHEMBL2316910 0.90 SCD (0.73) SCDALDH1A1HPGD
SCHEMBL2313190 0.89 SCD (1.00) SCD
SCHEMBL2311914 0.88 SCD (0.76) SCD
SCHEMBL2318585 0.87 SCD (0.84) SCD
SCHEMBL2315635 0.87 SCD (0.75) SCDALDH1A1HPGD
SCHEMBL2318324 0.87 SCD (0.75) SCDALDH1A1HPGD
SCHEMBL2314846 0.86 SCD (0.85) SCDALDH1A1HPGD
SCHEMBL2319396 0.86 SCD (0.73) SCDALDH1A1HPGD
SCHEMBL2319500 0.85 SCD (0.78) SCD

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