SCHEMBL4533642

SCHEMBL4533642

Cc1csc(CC(Cl)CO)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
NOS1 P29475 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
PDE10A Q9Y233 1/20 0.33
FDPS P14324 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 2/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10742507 0.76 SMN1; SMN2 (0.39) SMN1; SMN2NOS1ADAMTS5PDE10AFDPS
SCHEMBL19072060 0.75 RAB9A (0.39) SMN1; SMN2NOS1ADAMTS5FDPSNPC1
SCHEMBL3934510 0.75 SMN1; SMN2 (0.41) SMN1; SMN2NOS1ADAMTS5PDE10AFDPS
SCHEMBL634118 0.71
SCHEMBL2041379 0.70 SMN1; SMN2 (0.44) SMN1; SMN2NOS1ADAMTS5PDE10ANPC1
SCHEMBL344952 0.70
Hydrochloric Acid SCHEMBL17871683 0.69 SMN1; SMN2 (0.40) SMN1; SMN2NOS1ADAMTS5PDE10AFDPS
Bromide SCHEMBL9811452 0.69 SMN1; SMN2 (0.40) SMN1; SMN2NOS1ADAMTS5PDE10AFDPS
SCHEMBL19590951 0.69 SMN1; SMN2 (0.48) SMN1; SMN2NOS1ADAMTS5PDE10ANPC1
Hydrochloric Acid SCHEMBL2029121 0.69

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-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed