SCHEMBL9757422

SCHEMBL9757422

Nc1cccc2c1CN(c1c(F)c(NCCO)c3c(=O)c(C(=O)O)cn(C4CC4)c3c1F)C2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 18/20 0.52
CACNA1F O60840 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
CACNA1D Q01668 1/20 0.47
KCNH2 Q12809 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL9757301 0.92 GSK3B (0.49) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9757363 0.91 GSK3B (0.48) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9757433 0.91 GSK3B (0.48) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9757432 0.90 GSK3B (0.56) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9757482 0.90 GSK3B (0.48) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9757487 0.86 CACNA1F (0.62) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL10689688 0.82 GSK3B (0.53) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9757491 0.80 CACNA1F (0.59) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9757214 0.79 CACNA1F (0.62) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL8093551 0.79 TOP2A (0.53) GSK3BPOLBKCNH2MEN1KMT2A

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
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed