SCHEMBL8622665

SCHEMBL8622665

OC[C@@H]1C[C@H](F)[C@H](n2cnc3c(NO)ncnc32)O1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.50
▸ ADORA1 P30542 3/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ PMP22 Q01453 2/20 0.47
▸ ADORA2A P29274 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8622677 1.00 SLC29A1 (0.50) SLC29A1ADORA1ADORA3TSHRPMP22
SCHEMBL8617434 0.90 ADORA3 (0.56) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL8617438 0.90 ADORA3 (0.56) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL8622743 0.89 SLC29A1 (0.49) SLC29A1ADORA1ADORA3TSHRPMP22
SCHEMBL8622749 0.89 SLC29A1 (0.49) SLC29A1ADORA1ADORA3TSHRPMP22
SCHEMBL13184450 0.86 SLC29A1 (0.50) SLC29A1ADORA1ADORA3
SCHEMBL8618438 0.86 SLC29A1 (0.51) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL8618443 0.86 SLC29A1 (0.51) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL8616452 0.85 EGFR (0.46) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL3067 0.85 EGFR (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817799-A 2'-Fluorofuranosyl derivatives and methods for preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-10-06 — — US disclosed
EP-0540686-B1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES US COMMERCE (US) 1995-08-30 — — EP disclosed
US-5336764-A 2'-fluorofuranosyl derivatives and novel method of preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-08-09 — — US disclosed
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