SCHEMBL8767277

SCHEMBL8767277

CC(=O)Nc1cc(O)c(N)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
KMT2A Q03164 1/20 0.46
POLB P06746 3/20 0.45
GALR2 O43603 1/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
CCR6 P51684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC9A1 P19634 1/20 0.44
PKM P14618 2/20 0.43
ALDH3A1 P30838 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
PDE7A Q13946 1/20 0.40

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
SCHEMBL11095126 0.83 MAPT (0.52) MAPTNPSR1HTTALDH1A1KMT2A
SCHEMBL9505815 0.82 POLB (0.55) MAPTNPSR1HTTALDH1A1KMT2A
SCHEMBL8563186 0.81 MAPT (0.51) MAPTNPSR1HTTALDH1A1KMT2A
SCHEMBL11692881 0.81 MAPT (0.48) MAPTNPSR1HTTALDH1A1KMT2A
SCHEMBL6433126 0.80 MAPT (0.50) MAPTNPSR1HTTALDH1A1KMT2A
SCHEMBL2129921 0.80 NPSR1 (0.50) MAPTNPSR1HTTALDH1A1KMT2A
SCHEMBL11595305 0.80 MAPT (0.47) MAPTNPSR1HTTALDH1A1KMT2A
SCHEMBL13811009 0.79 NPSR1 (0.49) MAPTNPSR1HTTALDH1A1KMT2A
SCHEMBL2128713 0.78 SMN1; SMN2 (0.54) MAPTNPSR1HTTALDH1A1KMT2A
SCHEMBL14903460 0.77 RECQL (0.57) MAPTNPSR1HTTALDH1A1KMT2A

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
EP-0592511-B1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC (US) 1997-08-20 EP disclosed
EP-0669927-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC. (US) 1995-09-06 EP disclosed
US-5405938-A Hydrogen bonding an N-heterocyclic-substituted ribose-based polymer to a double-stranded DNA to block genetic activity, to diagnose for pathogens and to aid in genetic engineering ANTI-GENE DEVELOPMENT GROUP (US) 1995-04-11 US disclosed
WO-1994012517-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC. (US) 1994-06-09 WO disclosed
EP-0592511-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS. ANTIVIRALS INC (US) 1994-04-20 EP disclosed
WO-1993000352-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC. (US) 1993-01-07 WO disclosed
US-5166315-A Polynucleotides for genetic engineering ANTI-GENE DEVELOPMENT GROUP (US) 1992-11-24 US disclosed