SCHEMBL5044104

SCHEMBL5044104

CCCCCCCCCCCCNC(=O)c1cccc(CN(O)Cc2ccsc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
NAAA Q02083 2/20 0.51
SIGMAR1 Q99720 4/20 0.44
TMEM97 Q5BJF2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HDAC3 O15379 1/20 0.43
SNCA P37840 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MLYCD O95822 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CA2 P00918 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
SCHEMBL1860815 0.88 NAAA (0.50) SMN1; SMN2NAAASIGMAR1TMEM97L3MBTL1
SCHEMBL27601110 0.87 SMN1; SMN2 (0.54) SMN1; SMN2NAAAL3MBTL1HDAC3SNCA
SCHEMBL5039921 0.85 SMN1; SMN2 (0.56) SMN1; SMN2NAAASIGMAR1TMEM97L3MBTL1
SCHEMBL5040331 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NAAASIGMAR1TMEM97L3MBTL1
SCHEMBL5047548 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NAAASIGMAR1TMEM97L3MBTL1
SCHEMBL5041082 0.83 NAAA (0.60) SMN1; SMN2NAAASIGMAR1TMEM97L3MBTL1
SCHEMBL5039808 0.82 GAA (0.56) SMN1; SMN2NAAASIGMAR1GAAMAPT
SCHEMBL5044747 0.82 HDAC2 (0.52) SMN1; SMN2NAAAGAAHDAC8
SCHEMBL5044578 0.81 SMN1; SMN2 (0.48) SMN1; SMN2NAAASIGMAR1TMEM97L3MBTL1
SCHEMBL5039801 0.81 SIGMAR1 (0.53) SMN1; SMN2NAAASIGMAR1TMEM97HDAC3

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed