SCHEMBL8549276

SCHEMBL8549276

NC(N)=Nc1nnc(-c2ccccc2Cl)c2cccc(Br)c12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 10/20 0.43
PLG P00747 3/20 0.39
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
HSD11B1 P28845 1/20 0.35
SMO Q99835 1/20 0.34
PLAT P00750 1/20 0.34
HTR5A P47898 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL8372792 0.85 PLAU (0.43) PLAUPLGATP4AATP4BSMO
SCHEMBL8554034 0.85 PLG (0.50) PLAUPLGPLATKMT2A
Hydrochloric Acid SCHEMBL8551595 0.84 PLAU (0.42) PLAUPLGATP4AATP4BSMO
SCHEMBL8552274 0.82 PLAU (0.40) PLAUPLGHSD11B1
SCHEMBL8374823 0.82 PLAU (0.47) PLAUPLGPLATKMT2A
SCHEMBL8549556 0.81 PLAU (0.44) PLAUPLGHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL8547382 0.81 PLAU (0.46) PLAUPLGPLATKMT2A
SCHEMBL8549331 0.78 HSD11B1 (0.42) HSD11B1SMOSMN1; SMN2GAAKMT2A
SCHEMBL8554002 0.76 PLAU (0.44) PLAUPLGATP4AATP4BSMO
SCHEMBL8549269 0.76 HSD11B1 (0.34) HSD11B1SMOSMN1; SMN2GAAKMT2A

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