SCHEMBL8651990

SCHEMBL8651990

N=C(CC(C(=O)OC(=O)CCCCCNC(=O)c1ccc(CBr)c([N+](=O)[O-])c1)S(=O)(=O)O)OC(=O)CCCCCNC(=O)c1ccc(CBr)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.39
THRB P10828 3/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NPY5R Q15761 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
THRA P10827 3/20 0.37
VDR P11473 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6035960 0.86 HDAC1 (0.43) HDAC1THRBHDAC3HDAC4HDAC7
SCHEMBL7797894 0.82 PRMT5 (0.44) HDAC1THRBHDAC3HDAC4HDAC7
SCHEMBL6035964 0.74 PRMT5 (0.41) HDAC1THRBHDAC3HDAC4HDAC7
SCHEMBL8651994 0.72 THRB (0.39) HDAC1THRBHDAC3HDAC4HDAC7
SCHEMBL7797897 0.70 PRMT5 (0.43) THRBPRMT5WDR77ALDH1A1THRA
SCHEMBL28550679 0.69 PRMT5 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8651689 0.69 VDR (0.40) HDAC1THRBNPY5RPRMT5WDR77
SCHEMBL7799898 0.68 PDK1 (0.39) ALDH1A1LMNAPOLBMAPTKMT2A
SCHEMBL28539247 0.68 PRMT5 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13816452 0.67 PDK1 (0.50) PRMT5WDR77ALDH1A1LMNAPOLB

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
US-5790627-A Method and apparatus for observing a specimen using an X-ray microscope RESEARCH DEVELOPMENT CORP. (JP) 1998-08-04 US disclosed