SCHEMBL6046940

SCHEMBL6046940

COc1ccc(C(=O)Nc2ncnc3c2ncn3CC(=O)N(CCNC(=O)OC(C)(C)C)CC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
BRD4 O60885 2/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
NR3C1 P04150 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8649567 0.92 CKS1B (0.40) HDAC1FLT4KDRCKS1BSKP1
SCHEMBL7263078 0.90 HDAC1 (0.41) HDAC1HDAC6FLT4KDRCKS1B
SCHEMBL8646092 0.88 FLT4 (0.40) HDAC1HDAC6FLT4KDRCKS1B
SCHEMBL6803680 0.83 TDP1 (0.40) HDAC1CKS1BSKP1SKP2TDP1
SCHEMBL6748343 0.79 HDAC1 (0.58) HDAC1HDAC6BRD4FLT4KDR
SCHEMBL12712246 0.79 CCNE2 (0.33) HDAC1CKS1BSKP1SKP2TDP1
SCHEMBL23453046 0.79 TMIGD3 (0.40) HDAC1TDP1
SCHEMBL6046930 0.79 MAPT (0.42) BRD4CKS1BSKP1SKP2ADORA3
SCHEMBL23453050 0.78 TDP1 (0.40) HDAC1CKS1BSKP1SKP2TDP1
SCHEMBL1404474 0.78 DAPK1 (0.47) HDAC1FLT4KDRCKS1BSKP1

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
EP-1105525-B1 A PROCESS FOR PREPARING PEPTIDE NUCLEIC ACID PROBE USING POLYMERIC PHOTOACID GENERATOR SAMSUNG ELECTRONICS CO LTD (KR) 2006-11-02 EP disclosed