SCHEMBL10914745

SCHEMBL10914745

Clc1ccc2nc(Cl)c(Cl)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
TDP1 Q9NUW8 2/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
DYRK1A Q13627 1/20 0.40
CUL4A Q13619 1/20 0.40
PIK3CG P48736 2/20 0.39
CYP2A6 P11509 1/20 0.39
HTR3A P46098 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAOB P27338 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
BACE1 P56817 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL28208080 0.80 NR4A2 (0.44) F7F3DYRK1APIK3CGCYP2A6
SCHEMBL789640 0.78 PDE3B (0.42) PDE3BPDE3ATDP1F7F3
SCHEMBL30973192 0.78 BACE1 (0.47) TDP1CYP2A6BACE1RXFP1
SCHEMBL9005984 0.78 KDM4E (0.50) ALDH1A1BACE1
SCHEMBL24971016 0.78 BACE1 (0.47) TDP1CYP2A6BACE1RXFP1
SCHEMBL24971014 0.78 TDP1 (0.34) TDP1DYRK1A
SCHEMBL18795118 0.78 KMT2A (0.49) PDE3BPDE3APIK3CGHTR3AHRH4
SCHEMBL28757458 0.78 PLAU (0.50) TDP1DYRK1AHTR3ATP53ALDH1A1
SCHEMBL30903368 0.78 TDP1 (0.34) TDP1DYRK1A
SCHEMBL6304224 0.75 CYP1A2 (0.61) PDE3BPDE3ATDP1CUL4AALDH1A1

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 5 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-0098751-A2 Quinolinyloxy(amino)phenols and alkoxyphenyloxy(amino)quinolines ICI AUSTRALIA LIMITED (AU) 1984-01-18 EP 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
US-4236912-A Quinolinyloxyphenoxy and quinolyinylthiophenoxy alkanoic acids and derivatives thereof and methods of herbicidal use THE DOW CHEMICAL COMPANY (US) 1980-12-02 US disclosed