SCHEMBL8804156

SCHEMBL8804156

CCOC(=O)BN1CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(O)c21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
STAT6 P42226 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CDA P32320 2/20 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
SCHEMBL8805090 0.78 CDK5 (0.41) KDM4EALDH1A1HTTGAABLM
SCHEMBL453483 0.77 MAPK1 (0.46) KDM4EALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL453482 0.77 MAPK1 (0.46) KDM4EALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL7744270 0.76 MAPK1 (0.40) KDM4EALDH1A1HTTGAABLM
SCHEMBL7744286 0.75 ALDH1A1 (0.39) KDM4EALDH1A1HTTGAABLM
SCHEMBL9243746 0.73 ADORA1 (0.39) KDM4EALDH1A1HTTGAABLM
SCHEMBL29267975 0.73 SLC29A1 (0.42) KDM4EALDH1A1HTTMAPK1TDP1
SCHEMBL9241942 0.70 P2RY2 (0.39) KDM4EALDH1A1HTTMAPK1TDP1
SCHEMBL3989534 0.69 SLC29A1 (0.44) MAPK1HIF1ACYP1A2STAT6TP53
SCHEMBL9240204 0.69 P2RY2 (0.40) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506892-B1 BORONATED NUCLEOSIDES BORON BIOLOG INC (US) 1997-10-08 EP claimed
US-5130302-A Antiinflammatory agents or antitumor agents BORON BILOGICALS, INC. (US) 1992-07-14 US claimed
EP-0506892-B1 BORONATED NUCLEOSIDES BORON BIOLOG INC (US) 1997-10-08 EP disclosed
EP-0506892-A4 BORONATED NUCLEOSIDES 1993-03-31 EP disclosed
EP-0506892-A1 BORONATED NUCLEOSIDES. BORON BIOLOG INC (US) 1992-10-07 EP disclosed
US-5130302-A Antiinflammatory agents or antitumor agents BORON BILOGICALS, INC. (US) 1992-07-14 US disclosed
WO-1991009048-A1 BORONATED NUCLEOSIDES BARON BIOLOGICALS, INC. (US) 1991-06-27 WO disclosed