SCHEMBL24790993

SCHEMBL24790993

CNc1ncnn2c([C@@]3(C)CCC(CO)O3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.36
▸ MAP4K4 O95819 1/20 0.33
▸ CHRNA7 P36544 2/20 0.32
▸ HTR3A P46098 2/20 0.32
▸ EGFR P00533 1/20 0.31
▸ KDR P35968 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
SCHEMBL807536 0.84 ACVRL1 (0.32) TMPRSS2
SCHEMBL18666834 0.84 ACVRL1 (0.32) TMPRSS2
SCHEMBL23047661 0.84 ACVRL1 (0.32) TMPRSS2
SCHEMBL24791284 0.72 TMPRSS2 (0.38) TMPRSS2CHRNA7HTR3A
SCHEMBL20834954 0.72 MAP4K4 (0.37) MAP4K4CHRNA7HTR3AEGFRKDR
SCHEMBL24789410 0.72 RIPK1 (0.32) TMPRSS2
SCHEMBL24106482 0.69 TMPRSS2 (0.67) TMPRSS2MAP4K4
SCHEMBL24789459 0.69 RIPK1 (0.33) —
SCHEMBL25914642 0.68 TMPRSS2 (0.30) TMPRSS2
SCHEMBL4971072 0.68 SMN1; SMN2 (0.33) —

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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