SCHEMBL28533385

SCHEMBL28533385

NC(=O)C(CC(=O)NC1O[C@H](CO)[C@@H](O)[C@H]1OP(=O)(O)O)c1nc(N)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.37
FGF1 P05230 1/20 0.35
FGF2 P09038 1/20 0.35
VEGFA P15692 1/20 0.35
HPSE Q9Y251 1/20 0.35
CD209 Q9NNX6 1/20 0.33
PYGB P11216 5/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL29068760 0.81 ADORA1 (0.41) ADORA1
SCHEMBL94835 0.73 PYGB (0.44) FGF1FGF2VEGFAHPSEPYGB
SCHEMBL2510604 0.72 ADORA1 (0.44) ADORA1FGF1FGF2VEGFAHPSE
SCHEMBL8329378 0.72 ADORA1 (0.44) ADORA1FGF1FGF2VEGFAHPSE
SCHEMBL574712 0.71 ADORA1 (0.39) ADORA1
SCHEMBL5369246 0.68 P2RY14 (0.39) ADORA1
SCHEMBL27755867 0.68 ADORA1 (0.36) ADORA1
SCHEMBL860142 0.68 ADORA1 (0.37) ADORA1FGF1FGF2VEGFAHPSE
SCHEMBL27777686 0.67 ADORA1 (0.37) ADORA1
SCHEMBL430834 0.66 ADORA1 (0.44) ADORA1

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
CN-111918960-A Methods and compositions for preventing microbial infections 比奥普来克斯有限公司 2020-11-10 CN claimed
CN-111918960-A Methods and compositions for preventing microbial infections 比奥普来克斯有限公司 2020-11-10 CN disclosed