SCHEMBL5528271

SCHEMBL5528271

O=[N+]([O-])c1ccc(O)c2ccccc12.Oc1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.69
MAPT P10636 7/20 0.55
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
KDM4E B2RXH2 5/20 0.55
HTT P42858 4/20 0.55
LMNA P02545 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 3/20 0.55
RAB9A P51151 2/20 0.55
CASP6 P55212 2/20 0.55
NPC1 O15118 1/20 0.55
BRD4 O60885 1/20 0.55
HSP90AA1 P07900 1/20 0.55
CHRM1 P11229 1/20 0.55
DRD2 P14416 1/20 0.55
ALOX12 P18054 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55

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
SCHEMBL589663 0.83 CTSB (1.00) CTSBMAPTKMT2AMEN1KDM4E
SCHEMBL5921938 0.79 CTSB (0.61) CTSBMAPTKMT2AMEN1KDM4E
Methoxymethane SCHEMBL7777573 0.77 CTSB (0.86) CTSBMAPTKMT2AMEN1KDM4E
Nitric Acid SCHEMBL14696120 0.76 VCP (0.46) MAPTKMT2AMEN1HTTLMNA
Benzoic Acid SCHEMBL20788024 0.73 CTSB (0.77) CTSBMAPTKMT2AMEN1KDM4E
SCHEMBL2769398 0.72 CTSB (0.78) CTSBMAPTKMT2AMEN1KDM4E
P-Nitrophenol SCHEMBL11305882 0.72 MAPT (0.54) MAPTKMT2AMEN1HTTLMNA
SCHEMBL7788656 0.72 TDP1 (0.80) CTSBMAPTKMT2AMEN1KDM4E
SCHEMBL1552872 0.71 MAPT (1.00) CTSBMAPTKMT2AMEN1KDM4E
Nitroxoline SCHEMBL29363027 0.71 MAPT (1.00) CTSBMAPTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844328-A2 USE OF REVERSIBLE EXTENSION TERMINATOR IN NUCLEIC ACID SEQUENCING Pacific Biosciences of California, Inc. (US) 2007-10-17 EP disclosed
EP-1790202-A2 APPARATUS AND METHOD FOR ANALYSIS OF MOLECULES Pacific Biosciences of California, Inc. (US) 2007-05-30 EP disclosed
WO-2006083751-A2 USE OF REVERSIBLE EXTENSION TERMINATOR IN NUCLEIC ACID SEQUENCING PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2006-08-10 WO disclosed
WO-2006044078-A2 APPARATUS AND METHOD FOR ANALYSIS OF MOLECULES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2006-04-27 WO disclosed