Simazine

Simazine

SCHEMBL7586016

CCNc1nc(Cl)nc(NCC)n1.C[C@H](OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl)C(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.46
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
TTR P02766 1/20 0.44
PPOX P50336 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MRGPRX4 Q96LA9 4/20 0.39
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
KCNH2 Q12809 2/20 0.38
PTGDR2 Q9Y5Y4 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
Atrazine SCHEMBL7579925 0.96 FFAR1 (0.43) FFAR1TDP1MEN1TTRPPOX
Terbuthylazine SCHEMBL7587556 0.95 FFAR1 (0.43) FFAR1TDP1MEN1TTRPPOX
Cyanazine SCHEMBL7581825 0.92 FFAR1 (0.40) FFAR1TDP1MEN1TTRPPOX
Simazine SCHEMBL7581138 0.91 FFAR1 (0.39) FFAR1TDP1MEN1TTRPPOX
Simazine SCHEMBL7586238 0.90 FFAR1 (0.38) FFAR1TDP1MEN1TTRPPOX
Ametryne SCHEMBL7587754 0.89 FFAR1 (0.41) FFAR1TDP1MEN1TTRPPOX
Atrazine SCHEMBL7577733 0.88 FFAR1 (0.37) FFAR1TDP1MEN1TTRPPOX
Terbutryne SCHEMBL7581609 0.88 FFAR1 (0.41) FFAR1TDP1MEN1TTRPPOX
Simazine SCHEMBL7587244 0.88 FFAR1 (0.37) FFAR1TDP1MEN1TTRPPOX
Terbuthylazine SCHEMBL7589876 0.87 FFAR1 (0.36) FFAR1TDP1MEN1TTRPPOX

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 FFAR1 4198/4885TDP1 1969/4885MEN1 4274/4885

“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.