SCHEMBL8552274

SCHEMBL8552274

NC(N)=Nc1nnc(-c2ccccc2C(F)(F)F)c2cccc(Br)c12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.40
HSD11B1 P28845 4/20 0.39
PLG P00747 2/20 0.36
NOTUM Q6P988 1/20 0.34
NPFFR1 Q9GZQ6 4/20 0.33
NPFFR2 Q9Y5X5 4/20 0.33
SLC9A1 P19634 1/20 0.33
SCN9A Q15858 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PARP1 P09874 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
SCHEMBL8554034 0.82 PLG (0.50) PLAUPLG
SCHEMBL8549276 0.82 PLAU (0.43) PLAUHSD11B1PLG
SCHEMBL8372792 0.82 PLAU (0.43) PLAUPLGNPFFR1NPFFR2
Hydrochloric Acid SCHEMBL8551595 0.81 PLAU (0.42) PLAUPLGNPFFR1NPFFR2
SCHEMBL8374823 0.79 PLAU (0.47) PLAUPLG
SCHEMBL8552267 0.78 HSD11B1 (0.38) HSD11B1
SCHEMBL8550323 0.78 PLG (0.42) PLAUPLG
Hydrochloric Acid SCHEMBL8547382 0.78 PLAU (0.46) PLAUPLG
SCHEMBL8548393 0.78 HSD11B1 (0.44) HSD11B1NOTUMPIK3R1PIK3CA
Hydrochloric Acid SCHEMBL8548633 0.77 PLG (0.41) PLAUPLG

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-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed