SCHEMBL4797498

SCHEMBL4797498

N#Cc1ccc(-c2csc(N(N)C(=O)c3cc4ccccc4[nH]3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
AR P10275 2/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
GRM1 Q13255 1/20 0.39
FLT3 P36888 1/20 0.39
EIF4E P06730 1/20 0.38
ESR1 P03372 1/20 0.38
PARP1 P09874 1/20 0.38
DAO P14920 1/20 0.38
HPGD P15428 1/20 0.38
SRD5A2 P31213 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL4797971 0.89 KDM4E (0.44) KDM4EMAPTGAAKMT2AMEN1
SCHEMBL4795138 0.86 RAB9A (0.46) KDM4EMAPTGAAKMT2AMEN1
SCHEMBL4797332 0.82 MAPT (0.44) KDM4EMAPTGAAKMT2AMEN1
SCHEMBL4797913 0.80 HSD17B10 (0.44) KDM4EMAPTGAAMAPK1LMNA
SCHEMBL3343759 0.77 KDM4E (0.67) KDM4EMAPTGAAKMT2AMEN1
SCHEMBL4734033 0.75 GRM1 (0.61) KDM4EMAPTGAAKMT2AMEN1
SCHEMBL14582159 0.72 CDK5 (0.63) GAAKMT2AMEN1AREIF4E
SCHEMBL4798176 0.69 GRM1 (0.55) KDM4EMAPTKMT2AMEN1MAPK1
SCHEMBL4797456 0.68 GRM1 (0.48) KDM4EMAPTKMT2AMEN1AR
SCHEMBL4782600 0.67 GRM1 (0.51) KDM4EMAPTGAAKMT2AMEN1

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 1 patent. 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