SCHEMBL8325734

SCHEMBL8325734

CC(=O)N1CCc2c(ccc3c2NC(=O)C3=NO)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
LCK P06239 5/20 0.35
RET P07949 5/20 0.35
KDR P35968 5/20 0.35
LRRK2 Q5S007 4/20 0.35
ALK Q9UM73 4/20 0.35
PDGFRA P16234 4/20 0.35
BAZ2B Q9UIF8 6/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
GSK3A P49840 5/20 0.35
GSK3B P49841 5/20 0.35
PTAFR P25105 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8325730 1.00 NOTUM (0.42) NOTUMLCKRETKDRLRRK2
SCHEMBL8329194 0.85 ESR1 (0.44)
SCHEMBL8329197 0.85 ESR1 (0.44)
SCHEMBL8328296 0.85 NOTUM (0.46) NOTUMLCKRETKDRLRRK2
SCHEMBL8325695 0.84 MAOA (0.34) LMNAMAPTGSK3B
SCHEMBL8325697 0.84 MAOA (0.34) LMNAMAPTGSK3B
SCHEMBL8328966 0.77 ALDH1A1 (0.30)
SCHEMBL8328965 0.77 ALDH1A1 (0.30)
SCHEMBL5095796 0.76 BAZ2B (0.41) LCKRETKDRLRRK2BAZ2B
SCHEMBL8330143 0.76 CD274 (0.37) LMNAMAPTGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529636-B1 Novel isatinoxime derivatives, their preparation and use NEUROSEARCH AS (DK) 1999-06-23 EP disclosed
US-5436250-A Isatineoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1995-07-25 US disclosed
US-5242918-A Isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-09-07 US disclosed
EP-0529636-A1 Novel isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-03 EP disclosed