SCHEMBL30931395

SCHEMBL30931395

CCCCCOC(=O)Nc1ncnn2c([C@]3(C#N)O[C@H](OC(=O)C(C)C)[C@@H](O)[C@H]3O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.46
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30931387 0.89 TMPRSS2 (0.47) TMPRSS2SMN1; SMN2
SCHEMBL25909950 0.87 TMPRSS2 (0.54) TMPRSS2LMNANPC1MAPTRAB9A
SCHEMBL26127778 0.86 TMPRSS2 (0.48) TMPRSS2LMNANPC1MAPTRAB9A
SCHEMBL30931391 0.83 TMPRSS2 (0.48) TMPRSS2
SCHEMBL30973740 0.81 TMPRSS2 (0.49) TMPRSS2LMNA
SCHEMBL26130961 0.81 TMPRSS2 (0.42) TMPRSS2LMNANPC1MAPTRAB9A
SCHEMBL30931386 0.79 TMPRSS2 (0.45) TMPRSS2
SCHEMBL30091026 0.79 TMPRSS2 (0.46) TMPRSS2LMNA
SCHEMBL25912578 0.78 TMPRSS2 (0.37) TMPRSS2LMNANPC1MAPTRAB9A
SCHEMBL25909949 0.78 TMPRSS2 (0.43) TMPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118139868-A Orally bioavailable nucleoside analogs 维纳拓尔斯制药公司 2024-06-04 — — CN disclosed
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