SCHEMBL9852779

SCHEMBL9852779

C[C@@H]([C]=O)Nc1cncs1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL1505769 0.73 HDAC1 (0.37) HDAC1
SCHEMBL1993800 0.70
SCHEMBL2344851 0.68 GAA (0.46)
SCHEMBL3392326 0.68 GAA (0.46)
SCHEMBL2344853 0.68 GAA (0.46)
SCHEMBL3659944 0.66 CD38 (0.39) HDAC1
SCHEMBL23758355 0.63
SCHEMBL10521875 0.63 GAA (0.44)
SCHEMBL10521871 0.63 GAA (0.44)
SCHEMBL15577218 0.63

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
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed