SCHEMBL22345227

SCHEMBL22345227

NC(CC[n+]1ccc(-c2ncccn2)cn1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.35
GRM8 O00222 3/20 0.34
GRM4 Q14833 3/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC1A5 Q15758 3/20 0.34
ARG1 P05089 1/20 0.33
CYP1A2 P05177 1/20 0.33
NOS1 P29475 2/20 0.33
ALPI P09923 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
SLC7A5 Q01650 1/20 0.33

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
SCHEMBL20753844 1.00 KIF11 (0.35) KIF11GRM8GRM4HSD17B10SLC1A5
SCHEMBL22345226 1.00 KIF11 (0.35) KIF11GRM8GRM4HSD17B10SLC1A5
SCHEMBL24001048 0.94 ARG1 (0.38) KIF11GRM8GRM4HSD17B10SLC1A5
SCHEMBL20753288 0.94 ARG1 (0.38) KIF11GRM8GRM4HSD17B10SLC1A5
Trifluoroacetic Acid SCHEMBL20744300 0.93 GRB2 (0.34) KIF11GRM8GRM4SLC1A5ALPI
Trifluoroacetic Acid SCHEMBL20743519 0.93 GRB2 (0.34) KIF11GRM8GRM4SLC1A5ALPI
Hydrochloric Acid SCHEMBL20743424 0.93 ARG1 (0.37) KIF11GRM8GRM4HSD17B10SLC1A5
Hydrochloric Acid SCHEMBL20743421 0.93 ARG1 (0.37) KIF11GRM8GRM4HSD17B10SLC1A5
Trifluoroacetic Acid SCHEMBL20743521 0.89 DPP4 (0.32) KIF11SLC1A5
Trifluoroacetic Acid SCHEMBL20743516 0.89 DPP4 (0.32) KIF11SLC1A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3923722-A1 HERBICIDAL COMPOSITIONS Syngenta Crop Protection AG (CH) 2021-12-22 EP disclosed
EP-3923725-A1 HERBICIDAL COMPOSITIONS Syngenta Crop Protection AG (CH) 2021-12-22 EP disclosed
WO-2020164925-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020164922-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed