SCHEMBL5048825

SCHEMBL5048825

CCCCCCCCCCCCNC(=O)c1cccc([CH]Cc2cccc(C#N)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NAAA Q02083 2/20 0.48
HDAC3 O15379 1/20 0.47
GAA P10253 2/20 0.46
ADORA2A P29274 2/20 0.43
STS P08842 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MGLL Q99685 1/20 0.42
MCHR1 Q99705 1/20 0.41
SNCA P37840 1/20 0.41
ROCK2 O75116 1/20 0.40
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL6359399 0.80 SMN1; SMN2 (0.72) NAMPTSMN1; SMN2NAAAHDAC3GAA
SCHEMBL5540070 0.78 NAMPT (0.73) NAMPTSMN1; SMN2NAAAHDAC3GAA
SCHEMBL1854024 0.78 NAAA (0.49) NAMPTSMN1; SMN2NAAAHDAC3GAA
SCHEMBL5044038 0.78 L3MBTL1 (0.52) NAMPTSMN1; SMN2NAAAHDAC3MAPT
SCHEMBL5044291 0.76 SMN1; SMN2 (0.50) NAMPTSMN1; SMN2NAAAHDAC3GAA
SCHEMBL5140051 0.76 SMN1; SMN2 (0.49) SMN1; SMN2NAAAHDAC3GAAMAPT
SCHEMBL12988864 0.75 L3MBTL1 (0.63) NAMPTSMN1; SMN2HDAC3GAAADORA2A
SCHEMBL6535127 0.74 SMN1; SMN2 (0.87) SMN1; SMN2NAAAGAAMAPTL3MBTL1
SCHEMBL131829 0.74 SMN1; SMN2 (0.87) SMN1; SMN2NAAAGAAMAPTL3MBTL1
SCHEMBL5039801 0.74 SIGMAR1 (0.53) NAMPTSMN1; SMN2NAAAHDAC3GAA

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