SCHEMBL30989118

SCHEMBL30989118

N#CC1(CO)O[C@@](C#N)(c2ccc3c(-c4ccccc4C(N)=O)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.40
▸ TGFBR1 P36897 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ PIK3CD O00329 4/20 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
SCHEMBL20834797 0.80 TMPRSS2 (0.40) TMPRSS2
SCHEMBL22372336 0.80 TMPRSS2 (0.40) TMPRSS2
SCHEMBL20819155 0.77 TMPRSS2 (0.56) TMPRSS2
SCHEMBL23054722 0.74 TMPRSS2 (0.38) TMPRSS2
SCHEMBL28709003 0.70 BCAT2 (0.41) TGFBR1DPP4PIK3CD
SCHEMBL22393486 0.68 TMPRSS2 (0.40) TMPRSS2
SCHEMBL22393459 0.68 TMPRSS2 (0.39) TMPRSS2PIK3CD
SCHEMBL20834799 0.68 TMPRSS2 (0.39) TMPRSS2
SCHEMBL20819183 0.66 TMPRSS2 (0.38) TMPRSS2
SCHEMBL20834794 0.66 TMPRSS2 (0.38) 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-111542531-B Substituted nucleosides, nucleotides and analogues thereof 詹森生物制药有限公司 2024-07-19 — — CN disclosed
Send feedback