SCHEMBL9021599

SCHEMBL9021599

C=CCOCC(COCC=C)OCn1cnc2nc(NC(C)=O)nc(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
BCHE P06276 4/20 0.38

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
SCHEMBL9021427 0.88 ACHE (0.42) ACHEBCHE
SCHEMBL9021299 0.85 ACHE (0.42) ACHEBCHE
SCHEMBL9021602 0.82 ACHE (0.40) ACHEBCHE
SCHEMBL9022568 0.81 ACHE (0.41) ACHEBCHE
SCHEMBL9021161 0.80 BCHE (0.50) ACHEBCHE
SCHEMBL9575496 0.77 ACHE (0.42) ACHEBCHE
SCHEMBL9020901 0.77 BCHE (0.48) ACHEBCHE
SCHEMBL9575361 0.76 BCHE (0.48) ACHEBCHE
SCHEMBL9019743 0.75 ACHE (0.33) ACHEBCHE
SCHEMBL9019742 0.74 ACHE (0.33) ACHEBCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452680-B1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AG (DE) 1996-11-06 EP disclosed
EP-0452680-A1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed