Paraquat

Paraquat

SCHEMBL19463247

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1.C[n+]1ccc(-c2cc[n+](C)cc2)cc1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35
CDK1 P06493 1/20 0.34

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
SCHEMBL29396197 0.91 MAPT (0.46) MAPTALDH1A1KDM4ENPC1CA1
SCHEMBL66269 0.91 MAPT (0.46) MAPTALDH1A1KDM4ENPC1CA1
SCHEMBL30013512 0.91 MAPT (0.46) MAPTALDH1A1KDM4ENPC1CA1
SCHEMBL21462144 0.90 MAPT (0.46) MAPTALDH1A1KDM4ENPC1CA1
Metsulfuron-Methyl SCHEMBL9451064 0.88 NPC1 (0.46) MAPTALDH1A1KDM4ENPC1CA1
Chlorsulfuron SCHEMBL3428108 0.86 ALDH1A1 (0.55) MAPTALDH1A1KDM4ENPC1CA1
SCHEMBL7452390 0.85 MAPT (0.49) MAPTALDH1A1KDM4ENPC1CA1
Diquat SCHEMBL19463478 0.85 MAPT (0.39) MAPTALDH1A1KDM4ENPC1CA1
SCHEMBL10839581 0.84 MAPT (0.44) MAPTALDH1A1KDM4ENPC1SMN1; SMN2
Iodosulfuron SCHEMBL19463106 0.83 MAPT (0.41) MAPTALDH1A1KDM4ENPC1CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442962-A1 HERBICIDAL PYRIDAZINONE COMPOUNDS Syngenta Participations AG (CH) 2019-02-20 EP disclosed
WO-2017178582-A1 HERBICIDAL PYRIDAZINONE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-10-19 WO disclosed