SCHEMBL4743368

SCHEMBL4743368

CC(C)CNC(=S)NNC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.62
ALPL P05186 2/20 0.62
TP53 P04637 1/20 0.62
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
ALDH1A1 P00352 3/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
ALOX12 P18054 2/20 0.55
LMNA P02545 1/20 0.55
KCNH2 Q12809 1/20 0.55
CCR6 P51684 1/20 0.54
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL4747655 0.83 GAA (0.58) GAAALPLTP53SMN1; SMN2ALDH1A1
SCHEMBL31558731 0.82 KMT2A (0.72) GAAALPLPOLBSMN1; SMN2ALDH1A1
SCHEMBL255251 0.81 GAA (0.76) GAAPOLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL11298577 0.79 RAB9A (0.75) GAAALPLPOLBSMN1; SMN2ALDH1A1
SCHEMBL5592711 0.78 RAB9A (0.58) GAASMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL10480392 0.78 GAA (0.81) GAAALPLPOLBSMN1; SMN2ALDH1A1
SCHEMBL4046696 0.77 KMT2A (0.69) GAAPOLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL9220486 0.76 RAB9A (0.67) GAAPOLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL11652211 0.76 KMT2A (0.67) GAAPOLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL13593757 0.74 POLB (0.55) GAAPOLBSMN1; SMN2ALDH1A1RAB9A

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-2008107677-A2 THIADIAZOLE AND OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SENEXIS LIMITED (GB) 2008-09-12 WO disclosed