SCHEMBL8551490

SCHEMBL8551490

CS(=O)(=O)c1cccc2c(-c3ccccc3)nnc(N=C(N)N)c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.40
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
RAD52 P43351 1/20 0.39
PLAU P00749 4/20 0.36
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
ENPP3 O14638 1/20 0.34
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMO Q99835 1/20 0.33
TMPRSS15 P98073 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 SCHEMBL8547893 0.99 PLG (0.40) PLGMEN1ALDH1A1KMT2AMAPT
SCHEMBL8518199 0.78 PLG (0.45) PLGMEN1ALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL8549377 0.78 PLG (0.55) PLGMEN1ALDH1A1KMT2AMAPT
SCHEMBL8374823 0.78 PLAU (0.47) PLGMEN1ALDH1A1KMT2AMAPT
SCHEMBL8551840 0.78 PLG (0.42) PLGMEN1ALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL8548609 0.77 PLAU (0.44) PLGMEN1ALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL8547382 0.77 PLAU (0.46) PLGMEN1ALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL8547928 0.77 PLG (0.44) PLGMEN1ALDH1A1KMT2AMAPT
Hydrochloric Acid SCHEMBL8552865 0.77 PLG (0.41) PLGMEN1ALDH1A1KMT2AMAPT
SCHEMBL8551488 0.76 ENPP3 (0.40) KMT2AMAPTF2ENPP3KDM4E

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