SCHEMBL8550323

SCHEMBL8550323

NC(N)=Nc1nnc(-c2ccccc2)c2cccc(C(F)(F)F)c12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAD52 P43351 2/20 0.41
MAPT P10636 1/20 0.41
PLAU P00749 6/20 0.38
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 2/20 0.36
ESR1 P03372 4/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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 SCHEMBL8548633 0.99 PLG (0.41) PLGKMT2AMEN1ALDH1A1RAD52
SCHEMBL8553715 0.90 NR1H2 (0.38) PLGKMT2AMEN1ALDH1A1MAPT
SCHEMBL8547668 0.89 PLAU (0.37) PLGKMT2AMEN1ALDH1A1MAPT
SCHEMBL8552083 0.81 MEN1 (0.34) PLGKMT2AMEN1ALDH1A1RAD52
SCHEMBL8374823 0.80 PLAU (0.47) PLGKMT2AMEN1ALDH1A1RAD52
SCHEMBL8518199 0.80 PLG (0.45) PLGKMT2AMEN1ALDH1A1RAD52
Hydrochloric Acid SCHEMBL8549377 0.80 PLG (0.55) PLGKMT2AMEN1ALDH1A1RAD52
Hydrochloric Acid SCHEMBL8548609 0.79 PLAU (0.44) PLGKMT2AMEN1ALDH1A1RAD52
Hydrochloric Acid SCHEMBL8547382 0.79 PLAU (0.46) PLGKMT2AMEN1ALDH1A1RAD52
Hydrochloric Acid SCHEMBL8547928 0.79 PLG (0.44) PLGKMT2AMEN1ALDH1A1RAD52

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