SCHEMBL11262348

SCHEMBL11262348

CCOC(=O)C(C)Oc1cccc(N(C)c2cnc3cc(Cl)ccc3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
HIF1A Q16665 1/20 0.42
GMNN O75496 1/20 0.42
HPGD P15428 1/20 0.42
APEX1 P27695 1/20 0.42
PMP22 Q01453 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GRM2 Q14416 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.38

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
SCHEMBL11225749 0.90 MAPT (0.48) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11267012 0.83 MAPT (0.46) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11263881 0.81 L3MBTL1 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11270736 0.81 MAPT (0.49) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL10684964 0.79 LMNA (0.45) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
Quizalofop Ethyl Ester SCHEMBL30406 0.78 MAPT (0.67) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11264919 0.78 CYP1A2 (0.51) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
Quizalofop-P-Ethyl SCHEMBL53466 0.78 MAPT (0.67) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
Quizalofop-P-Ethyl SCHEMBL29474422 0.78 MAPT (0.67) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
Quizalofop Ethyl Ester SCHEMBL9139248 0.78 MAPT (0.67) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1

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
US-4358307-A PREFERENTIAL CONTROLLING OF MONOCOTYLEDONS IN CROPS ICI AUSTRALIA LIMITED (AU) 1982-11-09 US disclosed
EP-0026622-A2 Quinoxalinylaminophenoxyalkane carboxylic acid derivatives, their preparation, their use as herbicides and intermediates ICI AUSTRALIA LIMITED (AU) 1981-04-08 EP disclosed