SCHEMBL30516176

SCHEMBL30516176

N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](OC(=O)c2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.44
▸ RIPK1 Q13546 4/20 0.34
▸ TNK2 Q07912 3/20 0.34
▸ POLRMT O00411 1/20 0.33
▸ PIK3CD O00329 3/20 0.32
▸ MTOR P42345 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
SCHEMBL28675704 0.87 TMPRSS2 (0.44) TMPRSS2RIPK1POLRMTPIK3CD
SCHEMBL31239297 0.85 TMPRSS2 (0.45) TMPRSS2RIPK1POLRMT
SCHEMBL24606289 0.85 TMPRSS2 (0.49) TMPRSS2RIPK1
SCHEMBL28655591 0.84 TMPRSS2 (0.44) TMPRSS2RIPK1POLRMT
SCHEMBL26135952 0.84 TMPRSS2 (0.49) TMPRSS2RIPK1POLRMTPIK3CD
SCHEMBL24791020 0.84 TMPRSS2 (0.49) TMPRSS2RIPK1POLRMTPIK3CD
SCHEMBL24917643 0.84 TMPRSS2 (0.49) TMPRSS2RIPK1POLRMTPIK3CD
SCHEMBL25909782 0.84 TMPRSS2 (0.43) TMPRSS2RIPK1TNK2POLRMT
SCHEMBL31239303 0.83 TMPRSS2 (0.42) TMPRSS2RIPK1POLRMT
SCHEMBL28680310 0.83 TMPRSS2 (0.43) TMPRSS2RIPK1POLRMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027040-A Nucleoside compound for treating coronavirus infection and application thereof 南方科技大学 2024-05-14 — — CN disclosed
CN-117964624-A Nucleoside compound with effect of treating viral infection and application thereof 南方科技大学 2024-05-03 — — CN disclosed
CN-117777141-A Nucleoside compound for resisting virus infection and application thereof 南方科技大学 2024-03-29 — — CN disclosed
CN-116370479-B Use of compound ATV014 in the preparation of a product for the treatment of novel coronavirus infection 南方科技大学 2024-02-13 — — CN disclosed
CN-113735862-B Nucleoside compound for treating viral infection and application thereof 南方科技大学 2024-02-02 — — CN disclosed
CN-116874490-A Compound ATV014 or pharmaceutically acceptable salts thereof and pharmaceutical compositions thereof 南方科技大学 2023-10-13 — — CN disclosed
CN-116370479-A Use of compound ATV014 in the preparation of a product for the treatment of novel coronavirus infection 南方科技大学 2023-07-04 — — CN disclosed
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