SCHEMBL8284128

SCHEMBL8284128

CC[C@H](NC(=O)[C@H](CS(=O)(=O)CC1CC1)NC1=NS(=O)(=O)c2ccccc21)C(=O)c1nnc(COC)o1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 6/20 0.32
HSD17B10 Q99714 3/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 4/20 0.31
ALDH1A1 P00352 4/20 0.31
TP53 P04637 3/20 0.31
NPC1 O15118 3/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 3/20 0.31
KDM4E B2RXH2 3/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GAA P10253 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
SCHEMBL8284114 0.94 HSD17B10 (0.33) LMNASMN1; SMN2HSD17B10MAPTTSHR
SCHEMBL14507994 0.92 SMN1; SMN2 (0.34) LMNASMN1; SMN2HSD17B10MAPTTSHR
SCHEMBL8284127 0.88 LMNA (0.34) LMNASMN1; SMN2HSD17B10MAPTTSHR
SCHEMBL8284130 0.84 CTSS (0.43)
SCHEMBL8284595 0.84 SMN1; SMN2 (0.33) LMNASMN1; SMN2HSD17B10MAPTL3MBTL1
SCHEMBL14507993 0.80 SMN1; SMN2 (0.35) LMNASMN1; SMN2HSD17B10MAPTTSHR
SCHEMBL14507990 0.79 CTSK (0.40) LMNASMN1; SMN2HSD17B10RAB9AALDH1A1
SCHEMBL8284106 0.79 LMNA (0.32) LMNASMN1; SMN2HSD17B10MAPTTSHR
SCHEMBL14507992 0.78 LMNA (0.32) LMNASMN1; SMN2HSD17B10MAPTTSHR
SCHEMBL8284132 0.75 RAB9A (0.36) LMNASMN1; SMN2HSD17B10MAPTTSHR

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-2005063742-A2 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-07-14 WO disclosed