SCHEMBL27644643

SCHEMBL27644643

CC(=O)OCCN(C)c1cc(-c2noc(-c3sccc3Cl)n2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 15/20 0.54
SIRT2 Q8IXJ6 1/20 0.40
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4586620 0.86 CASP3 (0.55) CASP3MAPT
SCHEMBL4587198 0.85 CASP3 (0.56) CASP3
SCHEMBL27644439 0.84 CASP3 (0.55) CASP3
SCHEMBL4594722 0.84 CASP3 (0.48) CASP3
SCHEMBL4587850 0.84 CASP3 (0.60) CASP3
SCHEMBL4593396 0.83 CASP3 (0.54) CASP3SMN1; SMN2
SCHEMBL27624584 0.80 CASP3 (0.55) CASP3SIRT2MAPT
SCHEMBL4422343 0.80 CASP3 (0.72) CASP3SMN1; SMN2
SCHEMBL4593372 0.79 CASP3 (0.49) CASP3MAPTSMN1; SMN2
SCHEMBL4593727 0.77 CASP3 (0.49) CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1756547-A 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA INC 2006-04-05 CN claimed
CN-1756547-A 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA INC 2006-04-05 CN disclosed