SCHEMBL6035960

SCHEMBL6035960

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.43
HDAC3 O15379 3/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.39
NPY5R Q15761 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL7797894 0.96 PRMT5 (0.44) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8651990 0.86 HDAC1 (0.39) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6035964 0.79 PRMT5 (0.41) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7799898 0.79 PDK1 (0.39) ALDH1A1LMNAPOLBKMT2AMAPT
SCHEMBL7797897 0.75 PRMT5 (0.43) PRMT5WDR77ALDH1A1LMNAPOLB
SCHEMBL28550679 0.74 PRMT5 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8651994 0.73 THRB (0.39) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28539247 0.73 PRMT5 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL13816452 0.72 PDK1 (0.50) PRMT5WDR77ALDH1A1LMNAPOLB
SCHEMBL1700735 0.71 MAPT (0.62) HDAC6ALDH1A1LMNAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124099-A Method for placing a photo-cross-linking agent at specific internal sites within the sequence of synthetic strands of ribonucleic acids THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2000-09-26 US claimed
US-20060147913-A1 Method of analyzing substance on substrate by mass spectrometry CANON KABUSHIKI KAISHA (JP) 2006-07-06 US disclosed
EP-1149176-A1 A METHOD FOR PLACING A PHOTO-CROSS-LINKING AGENT AT SPECIFIC INTERNAL SITES WITHIN THE SEQUENCE OF SYNTHETIC STRANDS OF RIBONUCLEIC ACIDS THE UNIVERSITY OF VERMONT (US) 2001-10-31 EP disclosed
EP-1149176-A4 A METHOD FOR PLACING A PHOTO-CROSS-LINKING AGENT AT SPECIFIC INTERNAL SITES WITHIN THE SEQUENCE OF SYNTHETIC STRANDS OF RIBONUCLEIC ACIDS UNIV VERMONT (US) 2001-10-31 EP disclosed
US-6124099-A Method for placing a photo-cross-linking agent at specific internal sites within the sequence of synthetic strands of ribonucleic acids THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2000-09-26 US disclosed
WO-1999067424-A1 A METHOD FOR PLACING A PHOTO-CROSS-LINKING AGENT AT SPECIFIC INTERNAL SITES WITHIN THE SEQUENCE OF SYNTHETIC STRANDS OF RIBONUCLEIC ACIDS UNIVERSITY OF VERMONT (US) 1999-12-29 WO disclosed
US-5790627-A Method and apparatus for observing a specimen using an X-ray microscope RESEARCH DEVELOPMENT CORP. (JP) 1998-08-04 US disclosed