SCHEMBL8723685

SCHEMBL8723685

Cc1cn([C@H]2CC(OC(=O)OCCc3c(F)cccc3[N+](=O)[O-])[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.56
TK1 P04183 3/20 0.43
TK2 O00142 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
ALB P02768 1/20 0.42
PKM P14618 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL7644410 1.00 RNASE1 (0.56) RNASE1TK1TK2LMNATSHR
SCHEMBL7644169 0.94 RNASE1 (0.48) RNASE1TK1
SCHEMBL7648511 0.91 RNASE1 (0.56) RNASE1TK1TK2LMNAALB
SCHEMBL7643824 0.91 RNASE1 (0.56) RNASE1TK1TK2LMNATSHR
SCHEMBL8723702 0.91 RNASE1 (0.56) RNASE1TK1TK2LMNAALB
SCHEMBL8722406 0.91 RNASE1 (0.56) RNASE1TK1TK2LMNATSHR
SCHEMBL7644534 0.86 BCHE (0.47) TK1
SCHEMBL8721564 0.86 BCHE (0.47) TK1
SCHEMBL7648735 0.85 RNASE1 (0.48) RNASE1TK1
SCHEMBL7645962 0.85 RNASE1 (0.48) RNASE1TK1

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-5763599-A FOR LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON DNA CHIP Pfleiderer, Wolfgang (DE) 1998-06-09 US disclosed