SCHEMBL7774654

SCHEMBL7774654

O=C(Nc1ncnc2c1ncn2[C@]1(C2OC[C@@H](O)[C@@H](O)[C@H]2OC(=O)c2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
TP53 P04637 1/20 0.37
SLC29A1 Q99808 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6908906 0.91 ADORA1 (0.41) ADORA1ADORA3ADORA2AADORA2BTP53
SCHEMBL31677375 0.91 ADORA1 (0.41) ADORA1ADORA3ADORA2AADORA2BTP53
SCHEMBL28023787 0.82 ADORA3 (0.48) ADORA1ADORA3ADORA2AADORA2BTP53
SCHEMBL28165438 0.76 ADORA1 (0.45) ADORA1ADORA3ADORA2AADORA2BTP53
SCHEMBL29479245 0.75 LMNA (0.57) ADORA1ADORA3ADORA2AADORA2BTP53
SCHEMBL29479247 0.75 LMNA (0.57) ADORA1ADORA3ADORA2AADORA2BTP53
SCHEMBL27518665 0.75 ADORA1 (0.43) ADORA1ADORA3ADORA2AADORA2BTP53
SCHEMBL26128147 0.74 ADORA3 (0.48) ADORA1ADORA3ADORA2A
SCHEMBL26128153 0.74 ADORA3 (0.48) ADORA1ADORA3ADORA2A
SCHEMBL7203906 0.74 ADORA1 (0.42) ADORA1ADORA3ADORA2AADORA2BTP53

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
JP-2001517674-A 2001-10-09 JP claimed
EP-1017703-A2 PENTOPYRANOSYL NUCLEOSIDE, AND PRODUCTION AND USE OF THE SAME Nanogen Recognomics GmbH (DE) 2000-07-12 EP claimed
WO-1999015539-A2 PENTOPYRANOSYL NUCLEOSIDE, AND PRODUCTION AND USE OF THE SAME AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-04-01 WO claimed