SCHEMBL4845367

SCHEMBL4845367

NN(C(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
AR P10275 1/20 0.45
NFKB1 P19838 1/20 0.45
GFER P55789 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CSNK2A1 P68400 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GRM1 Q13255 4/20 0.42
GSTO1 P78417 2/20 0.41
GCGR P47871 1/20 0.40
GIPR P48546 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL4797456 0.81 GRM1 (0.48) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL4782600 0.79 GRM1 (0.51) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL4798176 0.78 GRM1 (0.55) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL4780726 0.76 MAPT (0.53) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL4795138 0.75 RAB9A (0.46) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL3341387 0.75 MAPT (0.60) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL3341175 0.75 GRM1 (0.59) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL4802240 0.74 RAB9A (0.47) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL4800674 0.73 GRM1 (0.57) RAB9AKDM4EALDH1A1NPC1MAPT
SCHEMBL4798879 0.72 NPC1 (0.59) RAB9AKDM4EALDH1A1NPC1MAPT

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
WO-2008052804-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-08 WO claimed
WO-2008052804-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-08 WO disclosed