SCHEMBL6035964

SCHEMBL6035964

O=C(CCCCCNC(=O)c1ccc(CBr)c([N+](=O)[O-])c1)ON1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
HDAC1 Q13547 6/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 5/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL7797897 0.96 PRMT5 (0.43) PRMT5WDR77ALDH1A1LMNAMAPT
SCHEMBL28541572 0.91 ALDH1A1 (0.41) PRMT5WDR77HDAC1ALDH1A1LMNA
SCHEMBL8651994 0.86 THRB (0.39) PRMT5WDR77HDAC1ALDH1A1LMNA
SCHEMBL8100933 0.85 ALDH1A1 (0.36) ALDH1A1LMNAMAPTGAAPOLB
SCHEMBL8100931 0.83 CXCR4 (0.43) HDAC1ALDH1A1HDAC3HDAC2HDAC8
SCHEMBL8651689 0.83 VDR (0.40) PRMT5WDR77HDAC1ALDH1A1LMNA
SCHEMBL6657903 0.81 PDK1 (0.38) ALDH1A1POLBMEN1KMT2A
SCHEMBL28538359 0.80 HDAC1 (0.36) HDAC1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6035960 0.79 HDAC1 (0.43) PRMT5WDR77HDAC1ALDH1A1LMNA
SCHEMBL7799900 0.79 PDK1 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2GAA

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-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
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
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