SCHEMBL11218334

SCHEMBL11218334

O=C1CNC(c2cccc(C(F)(F)F)c2)=NN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
XDH P47989 1/20 0.43
NPY5R Q15761 1/20 0.42
PARP1 P09874 1/20 0.42
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
GPX4 P36969 1/20 0.41
GSK3B P49841 1/20 0.41
PIM3 Q86V86 1/20 0.41
BRSK1 Q8TDC3 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
IDO1 P14902 1/20 0.41
RXRA P19793 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
MAPK14 Q16539 1/20 0.41
SCN2A Q99250 1/20 0.40
KIF11 P52732 1/20 0.40
PDCD1 Q15116 1/20 0.40

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
SCHEMBL10781878 0.82 NISCH (0.49) NOTUMNPY5RPARP1PIM1GSK3B
SCHEMBL10899939 0.78 PGR (0.42) NOTUMPARP10PARP11
SCHEMBL4361638 0.76 AXL (0.52) XDHMAPT
SCHEMBL22309155 0.76 PDE3B (0.47)
SCHEMBL22308851 0.76 PDE3B (0.54) NOTUMMAPT
SCHEMBL11625391 0.75 SMN1; SMN2 (0.59) NOTUMPARP10PARP11XDHPDCD1
SCHEMBL22308343 0.75 PDE3B (0.39)
SCHEMBL22308344 0.75 PDE3B (0.41)
SCHEMBL4691651 0.73 MAOB (0.51) NOTUM
SCHEMBL22309145 0.73 PDE3B (0.42) NOTUMIDO1

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-4362550-A Herbicidal triazinones ELI LILLY AND COMPANY (US) 1982-12-07 US claimed
US-4362550-A Herbicidal triazinones ELI LILLY AND COMPANY (US) 1982-12-07 US disclosed