SCHEMBL5360101

SCHEMBL5360101

CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)Cn1cnc2c(NNCCCCCCNC(=O)C(F)(F)F)ncnc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.36
HDAC2 Q92769 5/20 0.36
CA14 Q9ULX7 1/20 0.34
DOT1L Q8TEK3 1/20 0.34
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
BRD4 O60885 3/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23453046 0.79 TMIGD3 (0.40) HDAC1HDAC2TDP1
SCHEMBL8649567 0.79 CKS1B (0.40) HDAC1HDAC2CKS1BSKP1SKP2
SCHEMBL6803680 0.77 TDP1 (0.40) HDAC1HDAC2DOT1LCKS1BSKP1
SCHEMBL6046940 0.77 HDAC1 (0.43) HDAC1CKS1BSKP1SKP2BRD4
SCHEMBL13660679 0.76 PDE4A (0.42) HDAC1HDAC2TDP1
SCHEMBL23453050 0.75 TDP1 (0.40) HDAC1HDAC2CKS1BSKP1SKP2
SCHEMBL1404474 0.75 DAPK1 (0.47) HDAC1HDAC2CKS1BSKP1SKP2
SCHEMBL12712246 0.74 CCNE2 (0.33) HDAC1HDAC2DOT1LCKS1BSKP1
SCHEMBL18087389 0.74 FLT4 (0.35) DOT1LCKS1BSKP1SKP2
SCHEMBL23453058 0.73 HDAC1 (0.41) HDAC1HDAC2CKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223833-B1 Peptide nucleic acid conjugates ISIS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
EP-0804456-B1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 2002-08-21 EP disclosed
EP-0804456-A4 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 1999-05-19 EP disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 EP disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 WO disclosed