SCHEMBL8826350

SCHEMBL8826350

OC[C@H]1O[C@@H](n2cnc3c(NCC4CC4)ncnc32)C[C@@H]1F

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.51
▸ HIF1A Q16665 1/20 0.48
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA2A P29274 2/20 0.47
▸ ADORA1 P30542 2/20 0.47
▸ ADORA2B P29275 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
SCHEMBL8826179 0.86 SLC29A1 (0.56) SLC29A1HIF1AADORA3ADORA2AADORA1
SCHEMBL8939236 0.85 TSHR (0.59) SLC29A1HIF1AADORA3ADORA2AADORA1
SCHEMBL8826529 0.85 PGK1 (0.50) ADORA3ADORA1
SCHEMBL9360359 0.85 ADORA3 (0.57) SLC29A1HIF1AADORA3
SCHEMBL8826176 0.85 ADORA3 (0.57) SLC29A1HIF1AADORA3
SCHEMBL8826256 0.83 ADORA3 (0.66) SLC29A1ADORA3ADORA2AADORA1
SCHEMBL9359951 0.82 SLC29A1 (0.65) SLC29A1HIF1AADORA3ADORA2AADORA1
SCHEMBL8826244 0.82 SLC29A1 (0.65) SLC29A1HIF1AADORA3ADORA2AADORA1
SCHEMBL9587631 0.81 ALDH1A1 (0.54) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL9589274 0.81 ALDH1A1 (0.54) ADORA3ADORA2AADORA1ADORA2B

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-5663154-A VIRICIDES, HIV, HEPATITIS GLAXO WELLCOME INC. (US) 1997-09-02 — — US disclosed
WO-1993014103-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-22 — — WO disclosed
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