SCHEMBL10690547

SCHEMBL10690547

O=[N+]([O-])c1c(Nc2ccc(O)cc2)c[n+]([O-])c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
GAA P10253 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
MAPK1 P28482 3/20 0.51
PKM P14618 2/20 0.51
ATM Q13315 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GFER P55789 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TLR9 Q9NR96 1/20 0.41
S100A4 P26447 1/20 0.38
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CASP7 P55210 1/20 0.36
HPGD P15428 2/20 0.36
THRB P10828 1/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL10689835 0.77 KMT2A (0.43) MAPTKMT2AMEN1TDP1MAPK1
SCHEMBL9770616 0.75 ALDH1A1 (0.44) MAPTKMT2AMEN1GAAMAPK1
SCHEMBL10688327 0.72 S100A4 (0.36) MAPTKMT2AMEN1GAATDP1
SCHEMBL8566829 0.70 MAPT (0.43) MAPTKMT2AMEN1TDP1ATM
SCHEMBL10683266 0.70 CYP3A4 (0.41) MAPTKMT2AMEN1TDP1ATM
SCHEMBL3342318 0.70 TSHR (0.51) MAPTKMT2AMEN1TDP1ATM
SCHEMBL1286290 0.70 MAPT (0.43) MAPTKMT2AMEN1TDP1ATM
SCHEMBL109703 0.68 MAPT (1.00) MAPTKMT2AMEN1GAATDP1
SCHEMBL27844608 0.68 MEN1 (0.74) MAPTKMT2AMEN1GAATDP1
SCHEMBL16067601 0.66 KMT2A (0.61) MAPTKMT2AMEN1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4738710-A Herbicidal alkane carboxylic acid derivatives ICI AUSTRALIA LIMITED (AU) 1988-04-19 US disclosed
EP-0063866-B1 QUINOLIN-3-YLOXY(AMINO)PHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1987-12-09 EP disclosed
EP-0063866-A1 Quinolin-3-yloxy(amino)phenoxyalkane carboxylic acid derivatives, process for their synthesis, herbicidal compositions containing them, and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1982-11-03 EP disclosed