SCHEMBL22342701

SCHEMBL22342701

C[C@@](NP(=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1)(C(=O)O)C1CCC1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.41
▸ POLRMT O00411 1/20 0.31
▸ TNK2 Q07912 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
SCHEMBL22342702 1.00 TMPRSS2 (0.41) TMPRSS2POLRMTTNK2
SCHEMBL20135847 0.91 TMPRSS2 (0.44) TMPRSS2POLRMT
SCHEMBL20135845 0.91 TMPRSS2 (0.44) TMPRSS2POLRMT
SCHEMBL22342711 0.88 TMPRSS2 (0.43) TMPRSS2POLRMTTNK2
SCHEMBL23711118 0.87 TMPRSS2 (0.42) TMPRSS2POLRMT
SCHEMBL17712216 0.87 TMPRSS2 (0.42) TMPRSS2POLRMT
SCHEMBL22342716 0.87 TMPRSS2 (0.43) TMPRSS2POLRMTTNK2
SCHEMBL30921703 0.86 TMPRSS2 (0.42) TMPRSS2POLRMTTNK2
SCHEMBL17712322 0.86 TMPRSS2 (0.40) TMPRSS2POLRMT
SCHEMBL23673324 0.86 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
EP-3695844-A1 METHODS FOR TREATING NIPAH VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2020-08-19 — — EP disclosed
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