SCHEMBL6891183

SCHEMBL6891183

O=C1NN=N[C]c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
GSK3B P49841 1/20 0.37
CASP3 P42574 1/20 0.32
CASP2 P42575 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
MAOA P21397 2/20 0.31
PARP1 P09874 1/20 0.31
MAOB P27338 1/20 0.31
PDGFRA P16234 1/20 0.31
FER P16591 1/20 0.31
LTK P29376 1/20 0.31
CDK8 P49336 1/20 0.31
ACVR1 Q04771 1/20 0.31
LRRK2 Q5S007 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
MEN1 O00255 2/20 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
SCHEMBL7036467 0.64 MEN1 (0.38) KDM4ELMNATDP1GSK3BCASP7
SCHEMBL28660 0.64 GSK3B (0.44) KDM4ELMNATDP1GSK3BCASP3
SCHEMBL6891180 0.63 KDM4E (0.42) KDM4ELMNATDP1GSK3BCASP3
SCHEMBL1551145 0.61 GSK3B (0.41) KDM4ELMNATDP1GSK3BCASP3
SCHEMBL1450780 0.60 CA12 (0.45) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL334824 0.60 GSK3B (0.44) KDM4ELMNATDP1GSK3BCASP3
SCHEMBL131636 0.60 GSK3B (0.50) KDM4ELMNATDP1GSK3BCASP3
SCHEMBL20504712 0.60 GSK3B (0.44) KDM4ELMNATDP1GSK3BCASP3
SCHEMBL8123268 0.59 LRRK2 (0.55) KDM4ELMNAGSK3BCASP3CASP2
Phthalimide SCHEMBL932346 0.59 GSK3B (0.94) KDM4ELMNATDP1GSK3BCASP3

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-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed