Atrazine

Atrazine

SCHEMBL9876340

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

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 3/20 0.35
HTT P42858 3/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CREBBP Q92793 1/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
LMNA P02545 1/20 0.31
PDE4A P27815 1/20 0.31

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
Simazine SCHEMBL9876727 0.94 LMNA (0.32) HTTKDM4EGAATDP1PKM
Atrazine SCHEMBL9876273 0.91 ALDH1A1 (0.43) ALDH1A1NPSR1HTTTSHRTP53
Atrazine SCHEMBL9876705 0.89 MAPT (0.33) ALDH1A1NPSR1HTTTSHRTP53
Simazine SCHEMBL9876438 0.84 LMNA (0.40) ALDH1A1HTTKDM4EMAPTKMT2A
Dcmu SCHEMBL9876450 0.83 APEX1 (0.35) ALDH1A1MAPTKMT2ALMNA
Atrazine SCHEMBL9876366 0.79 APEX1 (0.38) ALDH1A1NPSR1HTTTSHRTP53
Atrazine SCHEMBL19463486 0.74 ALDH1A1 (0.44) ALDH1A1NPSR1HTTTSHRTP53
Dcmu SCHEMBL9876296 0.73 APEX1 (0.41) ALDH1A1HTTTSHRKDM4EMAPT
Dcmu SCHEMBL9876837 0.72 APEX1 (0.42) ALDH1A1HTTKDM4EMAPTKMT2A
Dcmu SCHEMBL9717651 0.71 APEX1 (0.39) ALDH1A1HTTMAPTKMT2APKM

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