SCHEMBL4734033

SCHEMBL4734033

N#Cc1ccc(-c2csc(N(N)C(=O)c3cccc(F)c3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 7/20 0.61
GAA P10253 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
AR P10275 2/20 0.44
MAPK14 Q16539 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
GRM5 P41594 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
SCHEMBL3339173 0.76 MAPT (0.77) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL4797498 0.75 KDM4E (0.42) GRM1GAAMEN1KMT2AMAPT
SCHEMBL3341175 0.75 GRM1 (0.59) GRM1GAAMEN1KMT2AMAPT
SCHEMBL4798176 0.73 GRM1 (0.55) GRM1MEN1KMT2AMAPTKDM4E
SCHEMBL4801351 0.73 GRM1 (0.57) GRM1MEN1KMT2AMAPTMAPK14
SCHEMBL4798879 0.72 NPC1 (0.59) GRM1MEN1KMT2AMAPTKDM4E
SCHEMBL4797456 0.71 GRM1 (0.48) GRM1MEN1KMT2AMAPTKDM4E
SCHEMBL4782600 0.70 GRM1 (0.51) GRM1GAAMEN1KMT2AMAPT
SCHEMBL4794786 0.70 KMT2A (0.68) GRM1MEN1KMT2AMAPTKDM4E
SCHEMBL4795401 0.68 GRM1 (0.61) GRM1MEN1KMT2AMAPTKDM4E

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