SCHEMBL7799900

SCHEMBL7799900

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.40
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 4/20 0.37
VCAM1 P19320 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL28969702 0.89 PDK1 (0.40) PDK1POLBTDP1KMT2AMEN1
SCHEMBL10976812 0.84 CASP6 (0.51) POLBTDP1KMT2AMEN1RAB9A
SCHEMBL20596664 0.81 PARP1 (0.54) POLBTDP1KMT2AMEN1RAB9A
SCHEMBL8651501 0.80 PDK1 (0.39) PDK1POLBTDP1KMT2AMEN1
SCHEMBL7797897 0.80 PRMT5 (0.43) POLBKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL6035964 0.79 PRMT5 (0.41) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8649043 0.78 PDK1 (0.33) PDK1TDP1KMT2AMEN1RAB9A
SCHEMBL6657903 0.78 PDK1 (0.38) PDK1POLBTDP1KMT2AMEN1
SCHEMBL1018568 0.78 VCAM1 (0.58) PDK1POLBKMT2AMEN1ALDH1A1
SCHEMBL9228976 0.78 MAPT (0.38) POLBTDP1KMT2AMEN1RAB9A

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-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
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
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