Simazine

Simazine

SCHEMBL9876727

CCCC(=O)Oc1c(Br)cc(C#N)cc1Br.CCNc1nc(Cl)nc(NCC)n1.Nc1nc[nH]n1

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE4A P27815 1/20 0.32
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30

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 SCHEMBL9876340 0.94 ALDH1A1 (0.39) LMNAGAATDP1PDE4APKM
Simazine SCHEMBL9876438 0.89 LMNA (0.40) LMNAGAATDP1PDE4APKM
Dcmu SCHEMBL9876450 0.88 APEX1 (0.35) LMNA
Atrazine SCHEMBL9876705 0.84 MAPT (0.33) LMNAKDM4EHTT
Atrazine SCHEMBL9876273 0.83 ALDH1A1 (0.43) LMNAGAATDP1PKMKDM4E
Dcmu SCHEMBL9876296 0.78 APEX1 (0.41) LMNAGAAKDM4EHTT
Dcmu SCHEMBL9876837 0.77 APEX1 (0.42) LMNAGAAPKMKDM4EHTT
Dcmu SCHEMBL9717651 0.75 APEX1 (0.39) LMNAPKMHTT
SCHEMBL163129 0.74 AKR1B1 (0.42)
Atrazine SCHEMBL9876366 0.73 APEX1 (0.38) LMNAPKMKDM4EHTT

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-5021083-A Stable aqueous or aqueous alcoholic dispersion based on derivatives of oxynil, herbicidal composition comprised thereof and selective herbicidal treatment comprising the use of the said herbicidal composition COMPAGNIE FRANCAISE DE PRODUITS INDUSTRIELS (FR) 1991-06-04 US disclosed