SCHEMBL17059152

SCHEMBL17059152

B=COC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
KMT2A Q03164 4/20 0.50
PKM P14618 1/20 0.50
HTR2A P28223 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CES1 P23141 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CES2 O00748 1/20 0.46
MAPT P10636 2/20 0.46
MGLL Q99685 1/20 0.46
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45

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
SCHEMBL26374 0.85 GAA (0.65) GAABCL9CTNNB1KMT2APKM
Hydrochloric Acid SCHEMBL7895043 0.83 GAA (0.62) GAABCL9CTNNB1KMT2APKM
SCHEMBL7515264 0.83 GAA (0.54) GAABCL9CTNNB1KMT2APKM
SCHEMBL1421470 0.83 GAA (0.58) GAABCL9CTNNB1KMT2APKM
SCHEMBL14378853 0.82 GAA (0.61) GAABCL9CTNNB1KMT2APKM
SCHEMBL3176066 0.82 GAA (0.61) GAABCL9CTNNB1KMT2APKM
SCHEMBL19246046 0.80 GAA (0.59) GAABCL9CTNNB1KMT2APKM
SCHEMBL1639306 0.80 GAA (0.59) GAABCL9CTNNB1KMT2APKM
Ethylene Glycol SCHEMBL5476146 0.79 BCL9 (0.58) GAABCL9CTNNB1KMT2APKM
SCHEMBL21469741 0.79 GAA (0.57) GAABCL9CTNNB1KMT2APKM

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
WO-2015128875-A2 A PROCESS FOR PREPARATION OF DABIGATRAN ETEXILATE MESYLATE AND INTERMEDIATES THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2015-09-03 WO disclosed