SCHEMBL8547610

SCHEMBL8547610

C[S+]([O-])c1cccc2c(-c3ccccc3)nnc(N=C(N)N)c12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.40
KMT2A Q03164 4/20 0.39
RAD52 P43351 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
PLAU P00749 9/20 0.36
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
MPO P05164 1/20 0.32
PLAT P00750 1/20 0.32
NPFFR1 Q9GZQ6 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.32
THRB P10828 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31

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 SCHEMBL8549302 0.99 PLG (0.40) PLGKMT2ARAD52MEN1ALDH1A1
SCHEMBL8374823 0.78 PLAU (0.47) PLGKMT2ARAD52MEN1ALDH1A1
Hydrochloric Acid SCHEMBL8549377 0.78 PLG (0.55) PLGKMT2ARAD52MEN1ALDH1A1
SCHEMBL8518199 0.78 PLG (0.45) PLGKMT2ARAD52MEN1ALDH1A1
SCHEMBL8551840 0.78 PLG (0.42) PLGKMT2ARAD52MEN1ALDH1A1
Hydrochloric Acid SCHEMBL8547382 0.77 PLAU (0.46) PLGKMT2ARAD52MEN1ALDH1A1
Hydrochloric Acid SCHEMBL8548609 0.77 PLAU (0.44) PLGKMT2ARAD52MEN1ALDH1A1
Hydrochloric Acid SCHEMBL8547928 0.77 PLG (0.44) PLGKMT2ARAD52MEN1ALDH1A1
Hydrochloric Acid SCHEMBL8552865 0.77 PLG (0.41) PLGKMT2ARAD52MEN1ALDH1A1
SCHEMBL8547602 0.76 NPSR1 (0.36) ALDH1A1MAPTKDM4ETHRBNPSR1

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