SCHEMBL10913638

SCHEMBL10913638

CN(c1ccc(O)cc1)c1ccc2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.58
CYP1A2 P05177 2/20 0.50
HIF1A Q16665 1/20 0.50
AR P10275 1/20 0.49
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 4/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CNR2 P34972 1/20 0.43
MAPK1 P28482 2/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL13557858 0.86 NCF1 (0.66) NCF1CYP1A2HIF1AMEN1KMT2A
SCHEMBL13367555 0.85 NCF1 (0.59) NCF1CYP1A2HIF1AMEN1KMT2A
SCHEMBL13338168 0.83 NCF1 (0.58) NCF1CYP1A2HIF1AMEN1KMT2A
SCHEMBL12383278 0.82 NCF1 (0.76) NCF1CYP1A2HIF1AARMEN1
SCHEMBL13557864 0.81 NCF1 (0.59) NCF1CYP1A2HIF1AARMEN1
SCHEMBL13367445 0.81 NCF1 (0.59) NCF1CYP1A2HIF1AMEN1KMT2A
SCHEMBL13367487 0.81 NCF1 (0.54) NCF1CYP1A2HIF1AMEN1KMT2A
SCHEMBL10913732 0.80 PTGS2 (0.44) NCF1CYP1A2HIF1AMEN1KMT2A
SCHEMBL13338170 0.76 NCF1 (0.53) NCF1CYP1A2HIF1AMEN1KMT2A
SCHEMBL13367574 0.74 POLB (0.56) NCF1CYP1A2HIF1AMEN1KMT2A

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
EP-0029319-B1 QUINOLINYLOXY(AMINO)PHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1986-01-15 EP disclosed
US-4444584-A Ethyl 2[4-(7-chloroquinolin-3-yloxy)phenoxy]propionate, the N-oxide, and herbicidal compositions and methods employing them ICI AUSTRALIA LIMITED (AU) 1984-04-24 US disclosed
EP-0029319-A2 Quinolinyloxy(amino)phenoxyalkane carboxylic acid derivatives, process for their synthesis, herbicidal compositions containing them and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1981-05-27 EP disclosed