SCHEMBL458953

SCHEMBL458953

CC(=O)N(CC(=O)O)CC(NC(=O)OC(C)(C)C)n1cnc2c(NC(=O)OCc3ccccc3)[nH]c(=O)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
SYK P43405 1/20 0.35
MAPT P10636 2/20 0.34
CTSL P07711 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
JAK2 O60674 1/20 0.33
BACE1 P56817 2/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NTSR1 P30989 1/20 0.32
MAP3K5 Q99683 1/20 0.32

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
SCHEMBL459411 0.90 MAPT (0.41) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL458787 0.89 CCNE2 (0.36) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL459585 0.85 CCNA2 (0.39) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL460946 0.84 MAPT (0.39) CCNE2CCNA2CCNE1CDK2CCNA1
SCHEMBL430139 0.77 CKS1B (0.36) CCNE2CCNE1CDK2SYKMAPT
SCHEMBL3669585 0.72 CKS1B (0.34) CCNE2CCNE1CDK2SYKMAPT
SCHEMBL10077237 0.72 RAB9A (0.40) MAPK1POLB
SCHEMBL10077228 0.71 SYK (0.36) CCNE2CCNE1CDK2SYKMAPT
SCHEMBL13074310 0.70 CKS1B (0.36) CCNE2CCNE1CDK2SYKMAPT
SCHEMBL459081 0.69 MAPT (0.37) CCNE2CCNE1CDK2MAPTMAPK1

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-2596102-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GeneArrest Ltd (IL) 2013-05-29 EP disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 WO disclosed