SCHEMBL2579340

SCHEMBL2579340

O=Cc1cn([C@@]2(O)CC[C@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.32
BLM P54132 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TK2 O00142 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALB P02768 1/20 0.30
POLB P06746 1/20 0.30
ADRA1A P35348 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
SCHEMBL8104285 0.83 LMNA (0.41) CYP1A2TSHRPMP22LMNA
SCHEMBL2633815 0.70 LMNA (0.41) TK1BLMTSHRPMP22NPSR1
SCHEMBL28765909 0.69 LMNA (0.42) TK1BLMTSHRPMP22NPSR1
SCHEMBL2012504 0.69 ALDH1A1 (0.43) TK1BLMTSHRPMP22NPSR1
SCHEMBL13065052 0.69 BLM (0.48) TK1BLMCYP1A2CYP3A4TSHR
SCHEMBL339966 0.68 ALDH1A1 (0.41) TK1BLMTSHRPMP22NPSR1
SCHEMBL3611848 0.68 LMNA (0.41) TK1BLMTSHRPMP22NPSR1
SCHEMBL1878105 0.68 ALDH1A1 (0.43) TK1BLMPMP22NPSR1ALDH1A1
SCHEMBL30841853 0.68 ALDH1A1 (0.41) TK1BLMTSHRPMP22NPSR1
SCHEMBL27583424 0.68 ALDH1A1 (0.41) TK1BLMTSHRPMP22NPSR1

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-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed