SCHEMBL8554002

SCHEMBL8554002

NC(N)=Nc1nnc(-c2ccc(F)cc2)c2cccc(Br)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 6/20 0.44
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
PLG P00747 2/20 0.35
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
ESR1 P03372 1/20 0.33
LMNA P02545 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
SCHEMBL8374823 0.88 PLAU (0.47) PLAUALDH1A1KDM4EMEN1HTT
SCHEMBL8549556 0.87 PLAU (0.44) PLAUALDH1A1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL8547382 0.87 PLAU (0.46) PLAUALDH1A1KDM4EMEN1HTT
SCHEMBL8546417 0.85 MEN1 (0.36) PLAUALDH1A1KDM4EMEN1HTT
SCHEMBL8553715 0.82 NR1H2 (0.38) PLAUALDH1A1KDM4EMEN1HTT
SCHEMBL8372826 0.81 PLAU (0.39) PLAUALDH1A1KDM4EMEN1HTT
SCHEMBL8552083 0.81 MEN1 (0.34) PLAUALDH1A1KDM4EMEN1HTT
Hydrochloric Acid SCHEMBL8552094 0.80 PLAU (0.38) PLAUALDH1A1KDM4EMEN1HTT
SCHEMBL8371541 0.80 PLAU (0.42) PLAUPLG
Hydrochloric Acid SCHEMBL8553292 0.79 PLAU (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