SCHEMBL7541593

SCHEMBL7541593

COC(=O)Nc1ccc(OCc2nc3ccccc3o2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
ALOX5AP P20292 1/20 0.41
AGPAT2 O15120 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
PTGES O14684 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX5 P09917 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 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
SCHEMBL7548857 0.91 PDE10A (0.44) PDE10AALOX5APKDM4EALDH1A1POLB
SCHEMBL7541142 0.87 PDE10A (0.45) PDE10AALOX5APAGPAT2KDM4EALDH1A1
SCHEMBL7541413 0.86 LMNA (0.47) PDE10AALOX5APAGPAT2KDM4EALDH1A1
SCHEMBL7545865 0.85 AGPAT2 (0.49) PDE10AALOX5APAGPAT2KDM4EALDH1A1
SCHEMBL7542484 0.85 MAPT (0.52) PDE10AKDM4EALDH1A1TSHRHSD17B10
SCHEMBL27486934 0.83 PDE10A (0.44) PDE10AALOX5APAGPAT2KDM4EALDH1A1
SCHEMBL7544331 0.82 RAB9A (0.46) PDE10AALDH1A1POLBMAPTMEN1
SCHEMBL7542952 0.80 SMN1; SMN2 (0.57) PDE10AAGPAT2KDM4EALDH1A1POLB
SCHEMBL7543714 0.79 AGPAT2 (0.48) AGPAT2MAPTLMNA
SCHEMBL7541040 0.78 ALOX5 (0.58) ALOX5APALDH1A1MAPTMEN1KMT2A

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