SCHEMBL12756285

SCHEMBL12756285

CC1=NN(c2cccc(N3N=C(C)CC3=O)c2)C(=O)C1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.81
KMT2A Q03164 6/20 0.81
KDM4E B2RXH2 5/20 0.81
GAA P10253 3/20 0.81
APP P05067 7/20 0.79
MEN1 O00255 5/20 0.77
ALDH1A1 P00352 5/20 0.77
TDP1 Q9NUW8 4/20 0.77
CYP1A2 P05177 1/20 0.77
CHRM2 P08172 1/20 0.77
CYP3A4 P08684 1/20 0.77
CHRM1 P11229 1/20 0.77
TSHR P16473 1/20 0.77
PTGS1 P23219 1/20 0.77
DRD3 P35462 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
CA9 Q16790 1/20 0.70
LMNA P02545 1/20 0.62

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
SCHEMBL125079 0.91 MAPT (0.74) MAPTKMT2AKDM4EGAAAPP
SCHEMBL1260486 0.90 MAPT (1.00) MAPTKMT2AKDM4EGAAAPP
SCHEMBL4338431 0.89 MAPT (0.70) MAPTKMT2AKDM4EGAAAPP
SCHEMBL1854311 0.89 MAPT (0.70) MAPTKMT2AKDM4EGAAAPP
SCHEMBL4662959 0.89 MAPT (0.70) MAPTKMT2AKDM4EGAAAPP
SCHEMBL11858486 0.89 KMT2A (0.70) MAPTKMT2AKDM4EGAAAPP
SCHEMBL4662941 0.87 MAPT (0.68) MAPTKMT2AKDM4EGAAAPP
Hydrochloric Acid SCHEMBL21597225 0.87 MAPT (0.68) MAPTKMT2AKDM4EGAAAPP
Edaravone SCHEMBL4704 0.87 KMT2A (1.00) MAPTKMT2AKDM4EGAAAPP
Edaravone SCHEMBL27972444 0.87 KMT2A (1.00) MAPTKMT2AKDM4EGAAAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110076466-A1 TONER COMPOSITION FOR ELECTROSTATIC PHOTOGRAPHY, DEVELOPER FOR ELECTROSTATIC PHOTOGRAPHY, METHOD OF FORMING ELECTROSTATIC PHOTOGRAPHIC IMAGE, AND ELECTROSTATIC PHOTOGRAPHIC IMAGE FUJIFILM CORPORATION (JP) 2011-03-31 US disclosed
US-20110076466-A1 TONER COMPOSITION FOR ELECTROSTATIC PHOTOGRAPHY, DEVELOPER FOR ELECTROSTATIC PHOTOGRAPHY, METHOD OF FORMING ELECTROSTATIC PHOTOGRAPHIC IMAGE, AND ELECTROSTATIC PHOTOGRAPHIC IMAGE FUJIFILM CORPORATION (JP) 2011-03-31 US disclosed