SCHEMBL4326733

SCHEMBL4326733

NOC(=O)c1cnc(N2CCN(S(=O)(=O)c3scc4ccccc34)CC2)s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 14/20 0.49
HDAC4 P56524 14/20 0.49
HDAC1 Q13547 14/20 0.49
HDAC7 Q8WUI4 14/20 0.49
HDAC2 Q92769 14/20 0.49
HDAC10 Q969S8 14/20 0.49
HDAC11 Q96DB2 14/20 0.49
HDAC8 Q9BY41 14/20 0.49
HDAC6 Q9UBN7 14/20 0.49
HDAC9 Q9UKV0 14/20 0.49
HDAC5 Q9UQL6 14/20 0.49
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCD O00767 2/20 0.37
TMPRSS15 P98073 2/20 0.37

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
SCHEMBL4427620 0.86 HDAC1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4311936 0.78 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4308115 0.76 HDAC2 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6418581 0.74 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4429949 0.74 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4186587 0.73 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5375508 0.73 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5481964 0.73 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4434768 0.72 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5319421 0.69 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009089598-A2 MSMB-GENE METHYLATION BASED DIAGNOSIS, STAGING AND PROGNOSIS OF PROSTATE CANCER KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-07-23 WO disclosed
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 EP disclosed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO disclosed