SCHEMBL7799898

SCHEMBL7799898

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.39
LMNA P02545 1/20 0.37
PRSS1 P07477 4/20 0.36
VCAM1 P19320 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
CRHBP P24387 1/20 0.35
RAB9A P51151 1/20 0.35
CRHR2 Q13324 1/20 0.35
CASP6 P55212 1/20 0.35
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 0.81 PRMT5 (0.44) LMNAKMT2AALDH1A1NPC1MAPT
SCHEMBL6035960 0.79 HDAC1 (0.43) LMNAKMT2AALDH1A1NPC1MAPT
SCHEMBL1018568 0.77 VCAM1 (0.58) PDK1LMNAVCAM1KMT2AALDH1A1
SCHEMBL7527156 0.75 PDK1 (0.49) PDK1LMNAPRSS1VCAM1CASP6
SCHEMBL4262486 0.75 KMT2A (0.61) PDK1LMNAKMT2AALDH1A1NPC1
SCHEMBL27415134 0.74 PDK1 (0.41) PDK1LMNAVCAM1KMT2AALDH1A1
SCHEMBL6953347 0.74 PDK1 (0.46) PDK1LMNAVCAM1KMT2AALDH1A1
SCHEMBL40979 0.73 CASP6 (0.64) PDK1LMNACASP6
SCHEMBL7510384 0.72 PARP1 (0.59) PDK1LMNAKMT2AALDH1A1MAPT
SCHEMBL28269442 0.72 PDK1 (0.52) PDK1LMNAVCAM1KMT2AALDH1A1

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