SCHEMBL6892320

SCHEMBL6892320

COc1cc(OC(=O)OC2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)c([N+](=O)[O-])cc1OC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.56
TOP2A P11388 1/20 0.49
TK1 P04183 4/20 0.47
TK2 O00142 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
ALB P02768 1/20 0.45
PKM P14618 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL6892317 0.88 RNASE1 (0.54) RNASE1TOP2ATK1TK2LMNA
SCHEMBL7034889 0.87 RNASE1 (0.53) RNASE1TOP2ATK1TK2LMNA
SCHEMBL7034888 0.87 RNASE1 (0.53) RNASE1TOP2ATK1TK2LMNA
SCHEMBL13822691 0.82 TK2 (0.47) TOP2ATK2
SCHEMBL6047002 0.82 RNASE1 (0.62) RNASE1TK1TK2LMNATSHR
SCHEMBL6046999 0.82 RNASE1 (0.62) RNASE1TK1TK2LMNATSHR
SCHEMBL7642202 0.80 RNASE1 (0.45) RNASE1TOP2ATK1
SCHEMBL7031391 0.80 RNASE1 (0.52) RNASE1TOP2ATK1TK2
SCHEMBL7031388 0.80 RNASE1 (0.52) RNASE1TOP2ATK1TK2
SCHEMBL7648736 0.79 RNASE1 (0.52) RNASE1TK1TK2LMNATSHR

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
US-6756492-B1 Nucleoside derivatives with photo-unstable protective groups DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUND DES OFFENTLICHEN RECHTS (DE) 2004-06-29 US disclosed