SCHEMBL5409668

SCHEMBL5409668

CCC(=CCC(c1nc2cc(-c3ncccn3)ccc2[nH]1)c1nc2cc(-c3ncccn3)ccc2[nH]1)CC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
MLKL Q8NB16 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
F9 P00740 3/20 0.31
RIPK1 Q13546 2/20 0.31
IDO1 P14902 1/20 0.31
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
AAK1 Q2M2I8 3/20 0.31
PRCP P42785 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
SCHEMBL3833275 0.83 KDM4E (0.40) KDM4ELMNAHSD17B10MLKLKMT2A
SCHEMBL3830827 0.82 KDM4E (0.36) KDM4ELMNAHSD17B10MLKLKMT2A
SCHEMBL4392301 0.82 KDM4E (0.35) KDM4ELMNAHSD17B10SMN1; SMN2MLKL
SCHEMBL3835038 0.81 KDM4E (0.38) KDM4ELMNAHSD17B10SMN1; SMN2MLKL
SCHEMBL4392245 0.79 ALDH1A1 (0.40) KDM4ELMNAHSD17B10SMN1; SMN2IDO1
SCHEMBL3830605 0.78 KDM4E (0.39) KDM4ELMNAHSD17B10KMT2AMEN1
SCHEMBL5311131 0.76 KDM4E (0.34) KDM4ELMNAHSD17B10IDO1AAK1
SCHEMBL3830935 0.76 KDM4E (0.46) KDM4ELMNAHSD17B10MLKLIDO1
SCHEMBL3833347 0.76 AAK1 (0.35) KDM4ELMNAHSD17B10MLKLKMT2A
SCHEMBL3835605 0.73 KDM4E (0.38) KDM4ELMNAHSD17B10SMN1; SMN2MLKL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed