SCHEMBL7420756

SCHEMBL7420756

N#CC(O)(CCNC(=O)OCc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HTT P42858 1/20 0.52
TGM2 P21980 1/20 0.50
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
CTSS P25774 7/20 0.47
CTSL P07711 5/20 0.47
CTSB P07858 3/20 0.47
CTSK P43235 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL15289516 0.82 LMNA (0.57) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL6463767 0.80 LMNA (0.48) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL2520296 0.78 SMN1; SMN2 (0.63) LMNASMN1; SMN2HTTTGM2KEAP1
Benzyl Phenethylcarbamate SCHEMBL27338403 0.77 LMNA (0.61) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL13055383 0.77 LMNA (0.80) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL2391033 0.76 LMNA (0.65) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL8026594 0.76 SMN1; SMN2 (0.65) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL9190671 0.75 LMNA (0.58) LMNASMN1; SMN2HTTTGM2KEAP1
SCHEMBL11631912 0.75 LMNA (0.58) LMNASMN1; SMN2HTTTGM2KEAP1
Water SCHEMBL8101580 0.74 LMNA (0.71) LMNASMN1; SMN2HTTTGM2KEAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed