SCHEMBL24160544

SCHEMBL24160544

CCOc1nc(S(C)(=O)=O)nn2c([C@@H]3OCC(OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3F)cnc12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.33
▸ RIPK1 Q13546 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
SCHEMBL18788394 0.83 PDE2A (0.41) BCHE
SCHEMBL19292382 0.83 PDE2A (0.41) BCHE
SCHEMBL18788255 0.77 TP53 (0.31) —
SCHEMBL18787318 0.72 PDE2A (0.48) BCHE
SCHEMBL23773180 0.72 PDE2A (0.31) —
SCHEMBL20653964 0.69 PDE2A (0.47) BCHE
SCHEMBL18788241 0.68 PDE2A (0.42) BCHE
SCHEMBL19859840 0.67 PDE2A (0.42) BCHE
SCHEMBL20404016 0.66 PDE2A (0.40) BCHE
SCHEMBL12835936 0.61 PTPN1 (0.35) BCHE

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-3932931-A1 A NEBULIZER COMPRISING A PHARMACEUTICAL COMPOSITION COMPRISING 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2022-01-05 — — EP disclosed
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