SCHEMBL7984261

SCHEMBL7984261

O=C(Cc1ccc(O)c([N+](=O)[O-])c1)O[N+](=O)OC(=O)Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR35 Q9HC97 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DBH P09172 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL286994 0.85 ALDH1A1 (0.59) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL31170840 0.85 ALDH1A1 (0.59) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL1694828 0.82 MAPT (0.49) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL9558321 0.81 POLB (0.46) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL231627 0.81 MAPT (0.59) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL2710180 0.81 MAPT (0.59) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL2742575 0.80 MAPT (0.58) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL7564083 0.80 POLB (0.52) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL7126615 0.80 POLB (0.52) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL13520189 0.80 POLB (0.52) POLBMAPTNPSR1ALDH1A1MAPK1

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-2001055139-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed