SCHEMBL8939236

SCHEMBL8939236

OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)ncnc32)C[C@@H]1F

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.59
▸ PMP22 Q01453 2/20 0.59
▸ ADORA2A P29274 2/20 0.59
▸ ADORA3 P0DMS8 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ ADORA2B P29275 1/20 0.59
▸ ADORA1 P30542 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ SIGMAR1 Q99720 1/20 0.59
▸ SLC29A1 Q99808 1/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ THPO P40225 1/20 0.58

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
SCHEMBL23982112 0.88 — —
SCHEMBL9360359 0.87 ADORA3 (0.57) ADORA3SLC29A1HIF1A
SCHEMBL8826176 0.87 ADORA3 (0.57) ADORA3SLC29A1HIF1A
SCHEMBL8826350 0.85 SLC29A1 (0.51) ADORA2AADORA3ADORA2BADORA1SLC29A1
SCHEMBL8830311 0.85 NR1I2 (0.60) —
SCHEMBL23982119 0.84 PMP22 (0.70) TSHRPMP22ADORA2AADORA3GAA
SCHEMBL31037024 0.83 ADORA2A (0.70) TSHRPMP22ADORA2ASMN1; SMN2TDP1
SCHEMBL8826179 0.83 SLC29A1 (0.56) TSHRADORA2AADORA3ADORA1SLC29A1
SCHEMBL8826218 0.82 LMNA (0.64) TSHRPMP22HTTSLC29A1RXFP1
SCHEMBL9359951 0.82 SLC29A1 (0.65) ADORA2AADORA3ADORA1SLC29A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670328-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1995-09-06 — — EP claimed
EP-0317128-A2 Anti-HIV Pyrimidine Nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1989-05-24 — — EP claimed
US-5574149-A Method of treating HIV infections with 2',3'-dideoxy-3'-fluoro-5-chlorouridine GLAXO WELLCOME INC. (US) 1996-11-12 — — US disclosed
EP-0670328-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1995-09-06 — — EP disclosed
EP-0669341-A1 Therapeutic Nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1995-08-30 — — EP disclosed
EP-0317128-A2 Anti-HIV Pyrimidine Nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1989-05-24 — — EP disclosed
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