Atrazine

Atrazine

SCHEMBL9876705

CCCC(=O)Oc1c(Br)cc(C#N)cc1Br.CCNc1nc(Cl)nc(NC(C)C)n1.CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1.Nc1nc[nH]n1

nearest known ligand 0.33

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.33
APEX1 P27695 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CREBBP Q92793 1/20 0.31
LMNA P02545 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
Dcmu SCHEMBL9876450 0.96 APEX1 (0.35) MAPTKMT2AALDH1A1APEX1LMNA
Atrazine SCHEMBL9876366 0.93 APEX1 (0.38) MAPTHTTNPSR1TSHRKDM4E
Atrazine SCHEMBL9876340 0.89 ALDH1A1 (0.39) MAPTHTTNPSR1TSHRKDM4E
Dcmu SCHEMBL9876296 0.89 APEX1 (0.41) MAPTHTTTSHRKDM4EKMT2A
Dcmu SCHEMBL9876837 0.88 APEX1 (0.42) MAPTHTTKDM4EKMT2AALDH1A1
Simazine SCHEMBL9876727 0.84 LMNA (0.32) HTTKDM4ELMNA
Atrazine SCHEMBL9876273 0.81 ALDH1A1 (0.43) MAPTHTTNPSR1TSHRKDM4E
Atrazine SCHEMBL9983133 0.76 APEX1 (0.56) MAPTTSHRKMT2AAPEX1L3MBTL1
Simazine SCHEMBL9876438 0.75 LMNA (0.40) MAPTHTTKDM4EKMT2AALDH1A1
Dcmu SCHEMBL8736974 0.70 APEX1 (0.66) MAPTTSHRKDM4EKMT2AALDH1A1

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