SCHEMBL1665800

SCHEMBL1665800

CC(O)c1ccccc1[N+](=O)[O-].O=C(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL6256628 0.82 ALDH1A1 (0.57) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL889733 0.82 ALDH1A1 (0.57) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL888202 0.82 ALDH1A1 (0.57) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL2065608 0.82 ALDH1A1 (0.57) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL31146698 0.82 ALDH1A1 (0.57) CYP1A2TSHRALDH1A1MEN1KMT2A
Methyl Alcohol SCHEMBL6832436 0.81 ALDH1A1 (0.56) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL28113087 0.79 ALDH1A1 (0.50) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL280150 0.79 MAPT (0.54) CYP1A2TSHRALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27286730 0.77 MAPT (0.52) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL28282184 0.75 LMNA (0.46) TSHRALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307565-A2 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2011-04-13 EP disclosed