SCHEMBL4183218

SCHEMBL4183218

O=C(O)c1cnc(N2CCN(S(=O)(=O)c3cccc(OC(F)F)c3)CC2)s1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.58
HDAC4 P56524 13/20 0.58
HDAC1 Q13547 13/20 0.58
HDAC7 Q8WUI4 13/20 0.58
HDAC2 Q92769 13/20 0.58
HDAC10 Q969S8 13/20 0.58
HDAC11 Q96DB2 13/20 0.58
HDAC8 Q9BY41 13/20 0.58
HDAC6 Q9UBN7 13/20 0.58
HDAC9 Q9UKV0 13/20 0.58
HDAC5 Q9UQL6 13/20 0.58
KDM2B Q8NHM5 1/20 0.44
SCD O00767 1/20 0.44
KMT2A Q03164 1/20 0.44
FBP1 P09467 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4285731 0.90 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5319421 0.83 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5319525 0.83 HDAC2 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28919064 0.77 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydroxyamine SCHEMBL6418576 0.76 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5318872 0.76 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28919033 0.76 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5335863 0.75 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4179056 0.75 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4308115 0.74 HDAC2 (0.62) 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 1 patent. 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