SCHEMBL24001048

SCHEMBL24001048

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.38
NOS1 P29475 3/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KIF11 P52732 3/20 0.34
GRM8 O00222 1/20 0.34
GRM4 Q14833 1/20 0.34
SLC1A5 Q15758 2/20 0.33
GSR P00390 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 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
SCHEMBL20753288 1.00 ARG1 (0.38) ARG1NOS1POLBKMT2ATDP1
Hydrochloric Acid SCHEMBL20743421 0.99 ARG1 (0.37) ARG1NOS1POLBKMT2ATDP1
Hydrochloric Acid SCHEMBL20743424 0.99 ARG1 (0.37) ARG1NOS1POLBKMT2ATDP1
SCHEMBL22345226 0.94 KIF11 (0.35) ARG1NOS1KIF11GRM8GRM4
SCHEMBL20753844 0.94 KIF11 (0.35) ARG1NOS1KIF11GRM8GRM4
SCHEMBL22345227 0.94 KIF11 (0.35) ARG1NOS1KIF11GRM8GRM4
Trifluoroacetic Acid SCHEMBL20744300 0.87 GRB2 (0.34) KIF11GRM8GRM4SLC1A5
Trifluoroacetic Acid SCHEMBL20743519 0.87 GRB2 (0.34) KIF11GRM8GRM4SLC1A5
SCHEMBL24001023 0.86 HSD17B10 (0.35) KIF11GRM8GRM4SLC1A5HSD17B10
Trifluoroacetic Acid SCHEMBL20743521 0.84 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668855-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-11-10 EP disclosed