SCHEMBL4797332

SCHEMBL4797332

CC(C)COc1ccc(-c2csc(N(N)C(=O)c3cc4ccccc4[nH]3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
XDH P47989 2/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
NPSR1 Q6W5P4 1/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38

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 0.84 KDM4E (0.44) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL4795138 0.83 RAB9A (0.46) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL4797498 0.82 KDM4E (0.42) MAPTNPC1RAB9AHTTGAA
SCHEMBL3339390 0.79 GAA (0.47) MAPTNPC1RAB9AHTTTP53
SCHEMBL4797913 0.75 HSD17B10 (0.44) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL4794786 0.68 KMT2A (0.68) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19719044 0.68 RAB9A (0.64) MAPTNPC1RAB9ASMN1; SMN2XDH
SCHEMBL7894108 0.66 ADORA3 (0.66) MAPTNPC1RAB9AHTTTP53
SCHEMBL4797456 0.66 GRM1 (0.48) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL4797632 0.65 KMT2A (0.74) MAPTNPC1RAB9AMEN1KMT2A

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