SCHEMBL6240653

SCHEMBL6240653

CCOC(=O)CN(CC(NC(=O)OC(C)(C)C)C(=O)NC)C(=O)Cn1cnc2c(NC(=O)OCc3ccccc3)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SYK P43405 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PPARA Q07869 1/20 0.35
CCNE2 O96020 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
TSHR P16473 1/20 0.34
CTSL P07711 1/20 0.34
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34
BACE1 P56817 2/20 0.34
CTSS P25774 1/20 0.34
SLC29A1 Q99808 1/20 0.34

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
SCHEMBL6240613 0.94 JAK2 (0.41) JAK2TDP1SYKPDE4APDE4B
SCHEMBL9435466 0.79 CCNE2 (0.47) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL6690200 0.78 TDP1 (0.49) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL6803680 0.78 TDP1 (0.40) TDP1SYKPDE4APDE4BPDE4C
SCHEMBL6465128 0.77 TDP1 (0.41) TDP1SYKPDE4APDE4BPDE4C
SCHEMBL6463075 0.77 TDP1 (0.41) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7263078 0.73 HDAC1 (0.41) TDP1CCNE2CCNE1CDK2TSHR
SCHEMBL10047121 0.73 HDAC1 (0.39) CCNE2CCNE1CDK2
SCHEMBL3130095 0.72 TDP1 (0.48) TDP1PDE4APDE4BPDE4CPDE4D
SCHEMBL6803674 0.72 HDAC1 (0.46) TDP1SYKPDE4APDE4BPDE4C

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
EP-1543019-A2 MODIFIED PNA MOLECULES Santaris Pharma A/S (DK) 2005-06-22 EP disclosed
WO-2004024757-A2 MODIFIED PNA MOLECULES SANTARIS PHARMA A/S (DK) 2004-03-25 WO disclosed