SCHEMBL8916283

SCHEMBL8916283

CC(OCCc1ccc([N+](=O)[O-])cc1)OC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 6/20 0.54
ADORA1 P30542 4/20 0.51
ADORA3 P0DMS8 3/20 0.50
ADORA2A P29274 3/20 0.50
ADORA2B P29275 2/20 0.50
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
HIF1A Q16665 2/20 0.47
ABCC4 O15439 1/20 0.47
SLC28A3 Q9HAS3 1/20 0.47
BLM P54132 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
PMP22 Q01453 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL8916276 1.00 SLC29A1 (0.54) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL9282566 0.94 SLC29A1 (0.55) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL9282561 0.94 SLC29A1 (0.55) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL9228575 0.90 SLC29A1 (0.56) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL9228567 0.90 SLC29A1 (0.56) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL7064881 0.84 ADORA1 (0.55) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL7756559 0.82 ABCB1 (0.51) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL7756536 0.81 TYMP (0.46) SLC29A1
SCHEMBL6897956 0.80 ADORA1 (0.56) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL6898364 0.80 ADORA1 (0.62) SLC29A1ADORA1ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652358-A Solid-phase synthesis of oligoribonucleotides HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-29 US disclosed
EP-0661291-A1 Solid phase synthesis of oligoribonucleotide HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed