SCHEMBL5044291

SCHEMBL5044291

CCCCCCCCCCCCNC(=O)c1cccc(C[CH]c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
CA2 P00918 1/20 0.49
NAAA Q02083 2/20 0.49
NAMPT P43490 1/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL5140051 0.84 SMN1; SMN2 (0.49) SMN1; SMN2CA2NAAAGAAL3MBTL1
SCHEMBL1856259 0.83 SMN1; SMN2 (0.52) SMN1; SMN2CA2NAAANAMPTGAA
SCHEMBL1856260 0.83 ALDH1A1 (0.53) SMN1; SMN2CA2NAAANAMPTGAA
SCHEMBL5049250 0.82 SMN1; SMN2 (0.48) SMN1; SMN2CA2NAAANAMPTGAA
SCHEMBL5046272 0.79 NAAA (0.57) SMN1; SMN2NAAAL3MBTL1HDAC3HDAC1
SCHEMBL1854307 0.78 NAAA (0.48) SMN1; SMN2CA2NAAANAMPTGAA
SCHEMBL27291920 0.77 CA2 (0.74) SMN1; SMN2CA2NAAANAMPTALDH1A1
SCHEMBL5048825 0.76 NAMPT (0.50) SMN1; SMN2NAAANAMPTGAAL3MBTL1
SCHEMBL6359372 0.76 SMN1; SMN2 (0.72) SMN1; SMN2CA2NAAAGAAALDH1A1
SCHEMBL6535127 0.75 SMN1; SMN2 (0.87) SMN1; SMN2CA2NAAAGAAALDH1A1

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