SCHEMBL23966533

SCHEMBL23966533

CC(=O)OCc1nc2cc(C#N)c(OCC3CC3)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.45
S1PR2 O95136 3/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23914852 0.96 XDH (0.43) XDHS1PR2MAPTMAPK1SMN1; SMN2
SCHEMBL23914602 0.83 S1PR2 (0.41) S1PR2MAPTMAPK1SMN1; SMN2
SCHEMBL23915221 0.71 S1PR2 (0.77) XDHS1PR2
SCHEMBL23909059 0.71 S1PR2 (0.42) XDHS1PR2
SCHEMBL23908843 0.69 XDH (0.39) XDH
SCHEMBL23909036 0.69 S1PR2 (0.57) XDHS1PR2SMN1; SMN2
SCHEMBL23914609 0.69 XDH (0.38) XDH
SCHEMBL22199021 0.68 XDH (0.47) XDH
SCHEMBL20376280 0.67 S1PR2 (0.47) S1PR2
SCHEMBL22184886 0.65 IDH1 (0.55) XDH

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