SCHEMBL6359874

SCHEMBL6359874

Nc1nc(=O)n([C@H]2CC(O)[C@@H](CO)O2)cc1C=CBr

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
TSHR P16473 1/20 0.64
BLM P54132 1/20 0.64
PMP22 Q01453 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
DNMT1 P26358 8/20 0.57
ADRB1 P08588 1/20 0.57
DNMT3B Q9UBC3 3/20 0.50
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PNP P00491 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3A Q14432 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
FPR2 P25090 2/20 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
SCHEMBL447251 1.00 TK1 (0.64) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL447250 1.00 TK1 (0.64) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL447249 1.00 TK1 (0.64) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL5982338 1.00 TK1 (0.64) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL9803687 0.91 DNMT1 (0.57) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL9803679 0.91 DNMT1 (0.57) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL5982360 0.91 DNMT1 (0.57) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL9803693 0.91 DNMT1 (0.57) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL2293952 0.89 DNMT1 (0.57) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL5982097 0.89 DNMT1 (0.57) TK1CYP1A2CYP3A4TSHRBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137764-B1 NEW MEDICAL USE OF GENE AND VECTOR ENCODING A MULTISUBSTRATE DEOXYRIBONUCLEOSIDASE ZGENE AS (DK) 2005-03-02 EP disclosed
US-6582947-B1 Nucleotide sequences coding enzymatic polypeptide for use in the virus treatment of cancer and viral infection BIO VICI (CH) 2003-06-24 US disclosed
EP-1137764-A1 NEW MEDICAL USE OF GENE AND VECTOR ENCODING A MULTISUBSTRATE DEOXYRIBONUCLEOSIDASE Biovici (CH) 2001-10-04 EP disclosed
WO-2000036099-A1 NEW MEDICAL USE OF GENE AND VECTOR ENCODING A MULTISUBSTRATE DEOXYRIBONUCLEOSIDASE BIOVICI (CH) 2000-06-22 WO disclosed