SCHEMBL25608083

SCHEMBL25608083

N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO[PH](=O)Oc2cccc3ccccc23)[C@@H](O)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.41
▸ POLRMT O00411 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
SCHEMBL20144211 0.88 TMPRSS2 (0.44) TMPRSS2POLRMT
SCHEMBL25608082 0.87 POLRMT (0.33) POLRMT
SCHEMBL25013562 0.81 TMPRSS2 (0.43) TMPRSS2
SCHEMBL24407360 0.80 TMPRSS2 (0.46) TMPRSS2POLRMT
SCHEMBL25909400 0.79 TMPRSS2 (0.47) TMPRSS2POLRMT
SCHEMBL24312542 0.78 TMPRSS2 (0.49) TMPRSS2POLRMT
SCHEMBL16519861 0.78 TMPRSS2 (0.49) TMPRSS2POLRMT
SCHEMBL31684109 0.77 TMPRSS2 (0.40) TMPRSS2POLRMT
SCHEMBL30921699 0.77 TMPRSS2 (0.39) TMPRSS2POLRMT
SCHEMBL30269951 0.77 TMPRSS2 (0.40) TMPRSS2POLRMT

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-2023102472-A1 ANTIVIRAL PRODRUGS AND FORMULATIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2023-06-08 — — WO disclosed
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