SCHEMBL9009749

SCHEMBL9009749

O=C(OC[C@@H]1C=C[C@H](n2cnc3c(O)ncnc32)O1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
LMNA P02545 1/20 0.39
GSK3A P49840 2/20 0.39
RPS6KA3 P51812 2/20 0.39
MAPK14 Q16539 2/20 0.39
BCHE P06276 1/20 0.39
P2RX7 Q99572 1/20 0.38
HRAS P01112 1/20 0.37
SLC29A1 Q99808 2/20 0.36
HSPA2 P54652 1/20 0.36
DNPH1 O43598 1/20 0.35

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
SCHEMBL2955999 0.83 BCHE (0.42) LMNABCHE
SCHEMBL5496887 0.76 BCHE (0.37) BCHE
SCHEMBL2045673 0.76 EGFR (0.41) LMNABCHESLC29A1
SCHEMBL1140703 0.76 EGFR (0.41) LMNABCHESLC29A1
SCHEMBL13238881 0.76 EGFR (0.41) LMNABCHESLC29A1
SCHEMBL9689709 0.75 ABCB1 (0.38) ABCB1LMNAGSK3ARPS6KA3MAPK14
SCHEMBL2950104 0.75 EGFR (0.40) LMNABCHESLC29A1
SCHEMBL2950100 0.75 EGFR (0.40) LMNABCHESLC29A1
SCHEMBL9687934 0.75 SLC29A1 (0.43) BCHESLC29A1DNPH1
SCHEMBL9223633 0.74 DUT (0.48) BCHE

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-0504868-B1 Method of manufacturing 2'-3'-dideoxy-2',3'.didehydronucleosides JAPAN TOBACCO INC (JP) 1996-11-06 EP disclosed
US-5264561-A Reaction with an acid anhydride in the presence of a catalyst such as zirconium oxide, titanium oxide, alumina and acetic anhydride JAPAN TOBACCO INC. (JP) 1993-11-23 US disclosed
EP-0504868-A1 Method of manufacturing 2'-3'-dideoxy-2',3'.didehydronucleosides JAPAN TOBACCO INC. (JP) 1992-09-23 EP disclosed
EP-0493602-A1 PROCESS FOR PRODUCING 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDE YUKI GOSEI KOGYO CO., LTD. (JP) 1992-07-08 EP disclosed