SCHEMBL5217650

SCHEMBL5217650

CC[C@H](N)C(=O)Nc1nc(C(=O)O)c(C(C)C)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 6/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
RORC P51449 1/20 0.36
COPS5 Q92905 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ATAD2 Q6PL18 1/20 0.36
GLS O94925 2/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5218151 0.90 POLB (0.39) XIAPRORCCOPS5ATAD2GLS
SCHEMBL3088370 0.87 MEN1 (0.39) XIAPPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5220713 0.86 SMN1; SMN2 (0.36) XIAPRORCCOPS5ALDH1A1ATAD2
SCHEMBL1841799 0.78 L3MBTL1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGRORC
SCHEMBL3083725 0.77 POLB (0.38) XIAPRORCALDH1A1ATAD2NPC1
SCHEMBL3094290 0.75 SMN1; SMN2 (0.36) XIAPRORCALDH1A1ATAD2GLS
SCHEMBL25372929 0.73 L3MBTL1 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGRORC
SCHEMBL5746819 0.73 RAB9A (0.58) ALDH1A1GLSMAPK1HSD17B10L3MBTL1
SCHEMBL5223458 0.72 PSEN1 (0.60)
SCHEMBL5218907 0.72 PSEN1 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1525193-B1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-12-26 EP disclosed
EP-1525193-A2 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-04-27 EP disclosed
WO-2004009565-A2 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2004-01-29 WO disclosed