SCHEMBL7545816

SCHEMBL7545816

COC(=O)N(COC(=O)c1cccs1)c1ccc(OCc2nc3ccccc3o2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 5/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 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
SCHEMBL7549709 0.88 PDE10A (0.43) PDE10ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL7548379 0.87 PDE10A (0.43) PDE10ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL7547396 0.87 PDE10A (0.43) PDE10AALDH1A1KDM4ENPC1TSHR
SCHEMBL7543091 0.85 PDE10A (0.42) PDE10ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL7547319 0.84 PDE10A (0.41) PDE10ASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL7546594 0.83 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL7545911 0.83 PDE10A (0.45) PDE10ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL7548347 0.83 PDE10A (0.45) PDE10ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL7548833 0.80 PDE10A (0.47) PDE10ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL7541024 0.80 PDE10A (0.43) PDE10AALDH1A1MAPTKDM4ENPC1

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