SCHEMBL8552284

SCHEMBL8552284

Cc1ccc(-c2nnc(N=C(N)N)c3c([N+](=O)[O-])cccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.40
KDR P35968 2/20 0.37
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 5/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 3/20 0.35
ENPP3 O14638 1/20 0.35
LMNA P02545 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 2/20 0.34
GAA P10253 1/20 0.33

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
Hydrochloric Acid SCHEMBL8550917 0.88 PLAU (0.45) PLAUMAPTPLGALDH1A1TDP1
SCHEMBL8548363 0.80 PLAU (0.39) PLAUKDRNPSR1MAPTPLG
SCHEMBL8553148 0.79 PLAU (0.42) PLAUNPSR1PLGALDH1A1TDP1
SCHEMBL8548608 0.78 MAPT (0.44) NPSR1MAPTALDH1A1TDP1LMNA
SCHEMBL8552276 0.78 KDR (0.43) KDRNPSR1MAPTALDH1A1TDP1
SCHEMBL8553714 0.77 PLAU (0.37) PLAUKDRNPSR1MAPTPLG
SCHEMBL8547668 0.77 PLAU (0.37) PLAUKDRNPSR1MAPTPLG
SCHEMBL8547926 0.76 ALDH1A1 (0.51) PLAUKDRNPSR1MAPTPLG
SCHEMBL8547799 0.71 KMT2A (0.43) NPSR1MAPTALDH1A1TDP1LMNA
Hydrochloric Acid SCHEMBL8549377 0.68 PLG (0.55) PLAUKDRNPSR1MAPTPLG

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