S-Metolachlor

S-Metolachlor

SCHEMBL18115404

CCc1cccc(C)c1N(C(=O)CCl)[C@@H](C)COC.C[n+]1ccc(-c2cc[n+](C)cc2)cc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
THRB P10828 1/20 0.50
MAPT P10636 1/20 0.50
TP53 P04637 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 1/20 0.47
NR1I2 O75469 1/20 0.42
RORC P51449 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
PLA2G1B P04054 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
Metolachor SCHEMBL18115411 1.00 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL21385 0.90 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
S-Metolachlor SCHEMBL31170483 0.90 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL29357706 0.90 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL18115413 0.90 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
S-Metolachlor SCHEMBL118065 0.90 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL8190790 0.90 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL29397526 0.90 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL338302 0.90 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2THRB
Metolachor SCHEMBL20723457 0.89 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280260-A1 HERBICIDAL MIXTURES Syngenta Participations AG (CH) 2018-02-14 EP disclosed
EP-3277089-A1 HERBICIDAL MIXTURES Syngenta Participations AG (CH) 2018-02-07 EP disclosed
WO-2016162265-A1 HERBICIDAL MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2016-10-13 WO disclosed
WO-2016156241-A1 HERBICIDAL MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2016-10-06 WO disclosed