SCHEMBL10684245

SCHEMBL10684245

COC(=O)C(C)Oc1ccc(N(C)c2cnc3cc(Cl)ccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
HIF1A Q16665 1/20 0.46
GMNN O75496 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
APEX1 P27695 1/20 0.46
PMP22 Q01453 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LTC4S Q16873 3/20 0.40
HPGDS O60760 3/20 0.40

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
SCHEMBL10684964 0.90 LMNA (0.45) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL11270736 0.85 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10680635 0.85 LMNA (0.43) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10915313 0.84 MAPT (0.47) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10684940 0.84 MAPT (0.55) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL11168520 0.83 CYP1A2 (0.52) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL11097512 0.80 MAPT (0.46) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL11090549 0.79 MAPT (0.45) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL11434753 0.79 MAPT (0.46) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL11452294 0.78 MEN1 (0.47) MAPTMEN1KMT2AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4738710-A Herbicidal alkane carboxylic acid derivatives ICI AUSTRALIA LIMITED (AU) 1988-04-19 US disclosed
EP-0063866-B1 QUINOLIN-3-YLOXY(AMINO)PHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1987-12-09 EP disclosed
EP-0063866-A1 Quinolin-3-yloxy(amino)phenoxyalkane carboxylic acid derivatives, process for their synthesis, herbicidal compositions containing them, and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1982-11-03 EP disclosed