SCHEMBL4054863

SCHEMBL4054863

O=c1oc2ccccc2cc1-c1cccc(Br)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.73
KDM4E B2RXH2 8/20 0.73
NPC1 O15118 8/20 0.73
SMN1; SMN2 Q16637 7/20 0.73
MAPT P10636 4/20 0.73
TSHR P16473 1/20 0.73
HSD17B10 Q99714 1/20 0.73
MAOB P27338 5/20 0.71
ALDH1A1 P00352 5/20 0.71
GAPDH P04406 2/20 0.68
MAOA P21397 1/20 0.62
HPGD P15428 4/20 0.59
NCOA1 Q15788 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
ESR1 P03372 1/20 0.59
GAA P10253 1/20 0.59
ESR2 Q92731 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL15476915 0.85 MAPT (1.00) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL7124667 0.84 KDM4E (0.75) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL30356319 0.83 RAB9A (1.00) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL177366 0.83 RAB9A (1.00) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL5085018 0.82 MIF (0.72) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL8814114 0.81 MAPT (1.00) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL22132745 0.81 GAPDH (1.00) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL28068462 0.81 RAB9A (0.71) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL12813278 0.80 ADORA3 (0.57) RAB9AKDM4ENPC1SMN1; SMN2MAPT
SCHEMBL5008342 0.79 NPC1 (0.68) RAB9AKDM4ENPC1SMN1; SMN2MAPT

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
WO-2009118338-A2 USE OF A POLYPHENOLIC TYPE COMPOUND FOR PREVENTING OR TREATING A POLYGLUTAMINE EXPANSION NEURODEGENERATIVE DISEASE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2009-10-01 WO claimed
WO-2012135493-A1 POLYMERS AND TASK FUNCTIONALIZED POLYMERS FOR ENHANCED CHANGE DETECTION ENVIRONMENTAL TECHNOLOGY SOLUTIONS (US) 2012-10-04 WO disclosed
WO-2009118338-A2 USE OF A POLYPHENOLIC TYPE COMPOUND FOR PREVENTING OR TREATING A POLYGLUTAMINE EXPANSION NEURODEGENERATIVE DISEASE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2009-10-01 WO disclosed