SCHEMBL24789809

SCHEMBL24789809

CCCCCOC(=O)Nc1ncnn2c([C@@]3(C#N)CC[C@@H](COC(=O)CC)O3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.35
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.32
▸ LMNA P02545 1/20 0.30

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
SCHEMBL25912072 0.92 TMPRSS2 (0.33) TMPRSS2
SCHEMBL25912077 0.92 TMPRSS2 (0.33) TMPRSS2
SCHEMBL25912422 0.91 TMPRSS2 (0.40) TMPRSS2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL25912058 0.89 TMPRSS2 (0.35) TMPRSS2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL25912086 0.87 TMPRSS2 (0.33) TMPRSS2
SCHEMBL25913461 0.81 TMPRSS2 (0.34) TMPRSS2
SCHEMBL26320604 0.80 PIK3CD (0.31) —
SCHEMBL26399308 0.80 PIK3CD (0.31) —
SCHEMBL25914093 0.80 TMPRSS2 (0.34) TMPRSS2
SCHEMBL25914175 0.80 TMPRSS2 (0.36) 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
WO-2022265964-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. (US) 2022-12-22 — — WO disclosed
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