SCHEMBL7025013

SCHEMBL7025013

Cc1cn([C@]2(CCON)O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.38
TK2 O00142 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
POLB P06746 1/20 0.37
ADRA1A P35348 1/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
TYMP P19971 1/20 0.35

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
SCHEMBL4342615 0.90 TK1 (0.39) TK1TK2ALDH1A1LMNAALB
SCHEMBL3397223 0.88 TK1 (0.39) TK1TK2ALDH1A1LMNAALB
SCHEMBL13387567 0.88 TK1 (0.44) TK1TK2ALDH1A1LMNAALB
SCHEMBL6753364 0.88 TK1 (0.41) TK1TK2ALDH1A1LMNAALB
SCHEMBL2877649 0.85 TK1 (0.43) TK1TK2ALDH1A1LMNAALB
SCHEMBL8053437 0.84 TK1 (0.42) TK1TK2ALDH1A1LMNAALB
SCHEMBL28182722 0.84 TK2 (0.46) TK1TK2ALDH1A1LMNAALB
SCHEMBL28190357 0.83 TK2 (0.47) TK1TK2ALDH1A1LMNAALB
SCHEMBL7608037 0.82 TK1 (0.36) TK1TK2ALDH1A1LMNAALB
SCHEMBL27878939 0.81 TYMP (0.46) TK1TK2ALDH1A1LMNAALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390536-A1 ANTISENSE MODULATION OF TUMOR NECROSIS FACTOR RECEPTOR 2 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2004-02-25 EP disclosed
EP-1377595-A2 ANTISENSE MODULATION OF HISTONE DEACETYLASE 1 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2004-01-07 EP disclosed
WO-2002088393-A1 ANTISENSE MODULATION OF TUMOR NECROSIS FACTOR RECEPTOR 2 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2002-11-07 WO disclosed
EP-1248794-A1 ANTISENSE MODULATION OF SMAD7 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2002-10-16 EP disclosed
WO-2002050244-A2 ANTISENSE MODULATION OF HISTONE DEACETYLASE 1 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2002-06-27 WO disclosed
WO-2002020550-A1 ANTISENSE MODULATION OF MEKK3 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2002-03-14 WO disclosed
WO-2001053313-A1 ANTISENSE MODULATION OF SMAD7 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2001-07-26 WO disclosed