Simazine

Simazine

SCHEMBL7584818

CCNc1nc(Cl)nc(NCC)n1.CP(=O)(O)CCC(N)C(=O)O.Nc1c([N+](=O)[O-])cnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 16/20 0.36
GRM8 O00222 15/20 0.36
GRM6 O15303 9/20 0.36
GABRP O00591 3/20 0.34
GABRD O14764 3/20 0.34
GABRA1 P14867 3/20 0.34
GABRB1 P18505 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
GABRA2 P47869 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRA4 P48169 3/20 0.34
GABRE P78334 3/20 0.34
GABRA6 Q16445 3/20 0.34
GABRG1 Q8N1C3 3/20 0.34
GABRG3 Q99928 3/20 0.34
GABRQ Q9UN88 3/20 0.34
GRM7 Q14831 3/20 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
Atrazine SCHEMBL7586340 0.96 GRM4 (0.34) GRM4GRM8GRM6GABRPGABRD
Terbuthylazine SCHEMBL7579812 0.96 GRM4 (0.34) GRM4GRM8GRM6GABRPGABRD
Cyanazine SCHEMBL7587675 0.94 GRM4 (0.33) GRM4GRM8GRM6GABRPGABRD
Glufosinate SCHEMBL7591011 0.91 GRM4 (0.43) GRM4GRM8GRM6GABRPGABRD
Terbutryne SCHEMBL7578664 0.90 GABRP (0.35) GRM4GRM8GRM6GABRPGABRD
Simazine SCHEMBL7581596 0.86 GABRB3 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
Simazine SCHEMBL7586838 0.84 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
Atrazine SCHEMBL7584163 0.82 GABRB3 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
Metolachor SCHEMBL7585055 0.82 MAPT (0.30)
Atrazine SCHEMBL7577596 0.82 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2

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
US-20020004457-A1 Herbicidal composition SYNGENTA PARTICIPATIONS AG (CH) 2002-01-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020004457-A1 Herbicidal composition PPOX, ALAD, DDT GRM4 3673/4885GRM8 3918/4885GRM6 2895/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.