SCHEMBL27675511

SCHEMBL27675511

COc1ccc(CNc2nc(CCC(=O)C=O)nc3sc(Cl)cc23)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 7/20 0.41
▸ PDE11A Q9HCR9 7/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BCDIN3D Q7Z5W3 1/20 0.40

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
SCHEMBL27675572 0.94 ACHE (0.47) PDE5AACHE
SCHEMBL27675479 0.92 PDE11A (0.41) PDE5APDE11AACHE
SCHEMBL28759761 0.91 PDE11A (0.42) PDE5APDE11AACHE
SCHEMBL6709442 0.90 PDE5A (0.43) PDE5APDE11AACHEBCDIN3D
SCHEMBL6708393 0.90 ACHE (0.44) PDE5APDE11AACHEBCDIN3D
SCHEMBL27675443 0.89 PDE5A (0.45) PDE5APDE11ABCDIN3D
SCHEMBL6709568 0.88 ACHE (0.44) PDE5APDE11AACHEBCDIN3D
SCHEMBL7096128 0.87 PDE5A (0.43) PDE5APDE11AACHEBCDIN3D
SCHEMBL6708213 0.87 ACHE (0.43) PDE5APDE11AACHEBCDIN3D
SCHEMBL6706661 0.87 PDE5A (0.42) PDE5APDE11AACHEBCDIN3D

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
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 — — CN disclosed
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