SCHEMBL6891890

SCHEMBL6891890

CC(COC(=O)O[C@H]1C[C@H](n2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)nc2=O)O[C@@H]1CO)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
PKM P14618 1/20 0.31
RNASE1 P07998 1/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ROCK2 O75116 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL7047161 0.90 POLB (0.39) POLBLMNAPKMNPC1RAB9A
SCHEMBL6895269 0.85 KDM4E (0.46) POLBLMNAPKMRNASE1HCAR2
SCHEMBL6896046 0.85 SLC29A1 (0.41)
SCHEMBL6046977 0.83 POLB (0.50) POLBLMNAABL1RIN1MAPT
SCHEMBL6890238 0.82 POLB (0.39) POLBABL1RIN1MAPTNPC1
SCHEMBL6890005 0.76 POLB (0.50) POLBLMNAABL1RIN1MAPT
SCHEMBL6046959 0.75 POLB (0.42) POLBLMNAABL1RIN1MAPT
SCHEMBL6046965 0.73 NT5E (0.40) POLBLMNAPKMMAPTALDH1A1
SCHEMBL6573680 0.72 RNASE1 (0.59) PKMRNASE1
SCHEMBL6572381 0.72 RNASE1 (0.59) PKMRNASE1

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-1212338-B1 Nucleoside derivatives with photolabile protective groups DEUTSCHES KREBSFORSCH (DE) 2012-11-21 EP disclosed
US-6756492-B1 Nucleoside derivatives with photo-unstable protective groups DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUND DES OFFENTLICHEN RECHTS (DE) 2004-06-29 US disclosed