SCHEMBL7797897

SCHEMBL7797897

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ALDH1A1 P00352 7/20 0.41
LMNA P02545 4/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
VDR P11473 2/20 0.39
THRB P10828 2/20 0.39
CYP19A1 P11511 1/20 0.39
THRA P10827 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL6035964 0.96 PRMT5 (0.41) PRMT5WDR77ALDH1A1LMNAGAA
SCHEMBL28541572 0.89 ALDH1A1 (0.41) PRMT5WDR77ALDH1A1LMNAGAA
SCHEMBL8651689 0.84 VDR (0.40) PRMT5WDR77ALDH1A1LMNAGAA
SCHEMBL8651994 0.82 THRB (0.39) PRMT5WDR77ALDH1A1LMNAGAA
SCHEMBL8100933 0.81 ALDH1A1 (0.36) ALDH1A1LMNAGAAPOLBMEN1
SCHEMBL6657903 0.80 PDK1 (0.38) ALDH1A1POLBMEN1KMT2A
SCHEMBL7799900 0.80 PDK1 (0.40) ALDH1A1LMNAGAAPOLBTHRB
SCHEMBL8100931 0.79 CXCR4 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL8651501 0.79 PDK1 (0.39) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL7797894 0.78 PRMT5 (0.44) PRMT5WDR77ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
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 claimed
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