SCHEMBL7550323

SCHEMBL7550323

COC(=O)N(C(=O)OCC(Cl)(Cl)Cl)c1ccc(OCc2nc3ccccc3o2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
ALOX5AP P20292 1/20 0.39
LMNA P02545 1/20 0.38
ALOX5 P09917 2/20 0.36
PPARD Q03181 3/20 0.36
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 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
SCHEMBL7548833 0.92 PDE10A (0.47) PDE10AALOX5APLMNAALOX5PPARD
SCHEMBL7541458 0.91 PDE10A (0.44) PDE10AALOX5APLMNAALOX5PPARD
SCHEMBL7543738 0.89 TP53 (0.43) PDE10AALOX5APLMNAALOX5PPARD
SCHEMBL7548693 0.88 MAPT (0.43) PDE10AALOX5APLMNAALOX5PPARD
SCHEMBL7542088 0.85 PDE10A (0.44) PDE10AALOX5APLMNAALOX5PPARD
SCHEMBL7548710 0.85 PDE10A (0.44) PDE10AALOX5APLMNAALOX5PPARD
SCHEMBL7545435 0.85 PDE10A (0.47) PDE10AALOX5APLMNAALOX5PPARD
SCHEMBL7549521 0.84 PDE10A (0.43) PDE10AALOX5APLMNAALOX5PPARD
SCHEMBL7542014 0.83 PDE10A (0.51) PDE10AALOX5APLMNAALOX5PPARD
SCHEMBL7544498 0.82 PDE10A (0.43) PDE10AALOX5APLMNAALOX5PPARD

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
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed