SCHEMBL24318147

SCHEMBL24318147

C#C[C@H](CC)N(CC)C(=O)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL22762835 0.81 HDAC6 (0.32) CTSSCTSKHDAC1HDAC2HDAC6
SCHEMBL12667928 0.81 CTSS (0.32) CTSSCTSKHDAC1HDAC2HDAC6
SCHEMBL13534084 0.77 HDAC6 (0.35) CTSSCTSKHDAC1HDAC2HDAC6
SCHEMBL18419554 0.75 HDAC6 (0.34) CTSSCTSKHDAC1HDAC2HDAC6
SCHEMBL18658421 0.75 HDAC6 (0.34) CTSSCTSKHDAC1HDAC2HDAC6
SCHEMBL18400312 0.74 CA14 (0.36) CTSSCTSKHDAC1HDAC2HDAC6
SCHEMBL25650969 0.74 HDAC6 (0.33) CTSSCTSKHDAC1HDAC2HDAC6
SCHEMBL27471031 0.73 HDAC6 (0.39) CTSKHDAC1HDAC2HDAC6
SCHEMBL15413915 0.72 MEN1 (0.33) CTSSCTSKHDAC1HDAC2HDAC6
SCHEMBL18494386 0.72 HDAC6 (0.33) HDAC1HDAC2HDAC6

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-2022081469-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2022-04-21 WO disclosed