SCHEMBL10344658

SCHEMBL10344658

COC(=O)/C=C/c1cn([C@H]2C[C@H](O)[C@@H](C(O)C(c3ccccc3)(c3ccccc3OC)c3ccccc3OC)O2)c(=O)nc1NC(=O)c1ccccc1.COC(=O)/C=C/c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1N

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 7/20 0.37
DNMT3B Q9UBC3 3/20 0.36
POLB P06746 1/20 0.35
ADRB1 P08588 1/20 0.33
FPR2 P25090 3/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TK1 P04183 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7599190 0.92 POLB (0.32) POLB
SCHEMBL7599198 0.84 TMIGD3 (0.36) POLB
SCHEMBL7598997 0.81 POLB (0.31) POLB
SCHEMBL2114275 0.81 POLB (0.34) POLB
SCHEMBL10344715 0.81 POLB (0.30) POLB
SCHEMBL7599045 0.81 POLB (0.30) POLB
SCHEMBL7651299 0.80 POLB (0.33) POLB
SCHEMBL7599443 0.79 POLB (0.31) POLB
SCHEMBL7603317 0.79
SCHEMBL7599661 0.79

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
EP-0135587-B1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE, INC. (US) 1990-05-02 EP disclosed