SCHEMBL6934040

SCHEMBL6934040

N#Cc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.62
KDM4E B2RXH2 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAPT P10636 1/20 0.62
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.56
BLM P54132 2/20 0.56
LMNA P02545 2/20 0.56
GMNN O75496 1/20 0.56
NFKB1 P19838 1/20 0.56
DNMT1 P26358 1/20 0.56
THPO P40225 1/20 0.56
MTOR P42345 1/20 0.56
RAB9A P51151 1/20 0.56
HBB P68871 1/20 0.56
PMP22 Q01453 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
ADORA1 P30542 2/20 0.54
ADORA2A P29274 2/20 0.54

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
SCHEMBL9619994 1.00 TP53 (0.62) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL11472440 1.00 TP53 (0.62) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL10623398 0.85 ALDH1A1 (0.60) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL5746201 0.85 ADORA3 (0.52) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL9699120 0.84 ADORA3 (0.51) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL9699971 0.84 ADORA3 (0.51) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL9697576 0.82 ADORA3 (0.49) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL6674912 0.82 ADORA2A (0.57) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL9698515 0.80 ADORA3 (0.50) TP53KDM4ETDP1MAPTALDH1A1
SCHEMBL9698667 0.80 ADORA3 (0.47) TP53KDM4ETDP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0967220-B1 Novel arabinosyladenine derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 2003-04-09 EP disclosed
US-6242429-B1 ANTIVIRAL ARA-A DERIVATIVES HAVING RESISTANCE TO METABOLISM BY ADENOSINEDEAMINASE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 US disclosed
EP-0967220-A1 Novel arabinosyladenine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1999-12-29 EP disclosed