SCHEMBL9757352

SCHEMBL9757352

O=C(O)c1cn(C2CC2)c2c(F)c(F)c(F)c(NCCO)c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.58
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TOP2A P11388 1/20 0.48
TOP2B Q02880 1/20 0.48
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

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
SCHEMBL10689688 0.85 GSK3B (0.53) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL10550876 0.84 GSK3B (0.63) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL9688639 0.84 GSK3B (0.60) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL9757432 0.84 GSK3B (0.56) GSK3BMEN1KMT2ACACNA1FPOLB
SCHEMBL9838696 0.82 GSK3B (0.58) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL1344780 0.82 MEN1 (0.68) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL9376888 0.80 GSK3B (0.53) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL5868648 0.80 GSK3B (0.60) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL9757301 0.80 GSK3B (0.49) GSK3BMEN1KMT2ACACNA1FPOLB
SCHEMBL6216504 0.78 MEN1 (0.58) GSK3BMEN1KMT2ATOP2ATOP2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed