SCHEMBL8468621

SCHEMBL8468621

[c]1nc(NC2CCCCC2)nc(NC2CCCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
CTSK P43235 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 1/20 0.41
PAK1 Q13153 1/20 0.40
CTSS P25774 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM3 P20309 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38

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
SCHEMBL8966841 1.00 PDE4A (0.50) PDE4AKDM4EGAACTSKNPSR1
SCHEMBL7720129 0.87 KDM4E (0.43) PDE4AKDM4EGAACTSKNPSR1
SCHEMBL5909680 0.87 PDE4A (0.56) PDE4AKDM4EGAACTSKRAB9A
SCHEMBL3296576 0.84 PDE4A (0.64) PDE4AKDM4EGAACTSKNPSR1
SCHEMBL18557112 0.74 PDE4A (0.82) PDE4AKDM4EGAACTSKNPSR1
SCHEMBL20402878 0.74 PDE4A (0.82) PDE4AKDM4EGAACTSKNPSR1
SCHEMBL18557113 0.74 PDE4A (0.82) PDE4AKDM4EGAACTSKNPSR1
SCHEMBL8053847 0.74 PDE4A (0.59) PDE4AKDM4EGAANPSR1RAB9A
SCHEMBL17070790 0.74 PDE4A (0.55) PDE4AKDM4EGAACTSKNPSR1
SCHEMBL6640516 0.74 PDE4A (0.55) PDE4AKDM4EGAANPSR1RAB9A

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
US-5869184-A RESIN RAW MATERIALS FOR PAINTS, ADHESIVES MITSUI TOATSU CHEMICALS, INC. (JP) 1999-02-09 US disclosed