SCHEMBL3453592

SCHEMBL3453592

CC(C)Oc1cccc(CN(O)C(=O)c2ccc3cc(C(N)=O)ccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.46
PLAU P00749 6/20 0.46
PLG P00747 4/20 0.46
PLAT P00750 4/20 0.46
F2 P00734 3/20 0.46
KLKB1 P03952 2/20 0.46
PRSS1 P07477 2/20 0.46
KLK1 P06870 1/20 0.42
F10 P00742 1/20 0.41
F7 P08709 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
HSD17B2 P37059 1/20 0.39
DHFR P00374 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
PARP1 P09874 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3454219 0.88 MEP1B (0.48) PARP10PLAUF2F10F7
SCHEMBL3031503 0.88 PARP1 (0.54) PLAUPLGPLATHSD17B2PARP1
SCHEMBL3034523 0.81 MAOB (0.52) PARP10PLAUPARP1HPGD
SCHEMBL3454128 0.78 MMP13 (0.56) PLAUPLGPLATF2KLKB1
SCHEMBL3453561 0.76 PARP10 (0.49) PARP10PLAUF2F10F7
SCHEMBL3025882 0.75 HSD17B2 (0.61) PLAUPLGPLATHSD17B2PARP1
SCHEMBL3455277 0.75 MEN1 (0.49) PARP10PLAUPLATF2F10
SCHEMBL3453878 0.74 LCK (0.47) PARP10PLAUF2F10F7
SCHEMBL3454125 0.74 PLAU (0.43) PARP10PLAUPLGPLATF2
SCHEMBL3454177 0.74 LCK (0.44) PARP10PLAUF2F10F7

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-2205070-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-07-14 EP claimed
WO-2009045385-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-04-09 WO claimed