SCHEMBL8551931

SCHEMBL8551931

NC(N)=Nc1nnc(-c2ccccc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.53
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
RAD52 P43351 2/20 0.51
MAPT P10636 1/20 0.51
PLAU P00749 10/20 0.47
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 2/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41
PLAT P00750 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39

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 SCHEMBL8550948 0.98 PLG (0.51) PLGKMT2AALDH1A1MEN1RAD52
SCHEMBL8547926 0.87 ALDH1A1 (0.51) PLGKMT2AALDH1A1MEN1MAPT
SCHEMBL8547084 0.84 PLAU (0.51) PLGKMT2AALDH1A1MEN1RAD52
Hydrochloric Acid SCHEMBL8549050 0.82 MEN1 (0.50) PLGKMT2AALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL8549377 0.81 PLG (0.55) PLGKMT2AALDH1A1MEN1RAD52
SCHEMBL8374823 0.81 PLAU (0.47) PLGKMT2AALDH1A1MEN1RAD52
SCHEMBL8518199 0.81 PLG (0.45) PLGKMT2AALDH1A1MEN1RAD52
Hydrochloric Acid SCHEMBL8547382 0.79 PLAU (0.46) PLGKMT2AALDH1A1MEN1RAD52
Hydrochloric Acid SCHEMBL8548609 0.79 PLAU (0.44) PLGKMT2AALDH1A1MEN1RAD52
Hydrochloric Acid SCHEMBL8547928 0.79 PLG (0.44) PLGKMT2AALDH1A1MEN1RAD52

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