SCHEMBL23966833

SCHEMBL23966833

CCOCOCc1nc2cc(C#N)c(OCC3CC3)cc2n1COCC[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.34
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IKBKE Q14164 2/20 0.31
DGAT1 O75907 2/20 0.31
TBK1 Q9UHD2 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
SCHEMBL23914757 0.87 XDH (0.36) XDHIKBKEDGAT1TBK1
SCHEMBL23909001 0.87 XDH (0.38) XDHIKBKETBK1
SCHEMBL23908843 0.85 XDH (0.39) XDHHTTHSD17B10IKBKEDGAT1
SCHEMBL23909013 0.83 XDH (0.38) XDHIKBKETBK1
SCHEMBL23909131 0.83 XDH (0.36) XDHIKBKEDGAT1TBK1
SCHEMBL23915306 0.79 XDH (0.36) XDHIKBKETBK1
SCHEMBL23915309 0.75 XDH (0.37) XDHIKBKETBK1
SCHEMBL23914583 0.75 XDH (0.35) XDHIKBKETBK1
SCHEMBL23914609 0.75 XDH (0.38) XDHHTTHSD17B10IKBKETBK1
SCHEMBL23966541 0.74 DGAT1 (0.32) DGAT1

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-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed