SCHEMBL27675443

SCHEMBL27675443

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.45
▸ PDE11A Q9HCR9 8/20 0.44
▸ PDE6D O43924 1/20 0.42
▸ PDE6A P16499 1/20 0.42
▸ PDE6G P18545 1/20 0.42
▸ PDE6B P35913 1/20 0.42
▸ PDE6C P51160 1/20 0.42
▸ PDE6H Q13956 1/20 0.42
▸ BCDIN3D Q7Z5W3 1/20 0.39

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
SCHEMBL27655552 0.93 ACHE (0.45) PDE5A
SCHEMBL27675511 0.89 PDE5A (0.41) PDE5APDE11ABCDIN3D
SCHEMBL28759761 0.89 PDE11A (0.42) PDE5APDE11A
SCHEMBL27675479 0.88 PDE11A (0.41) PDE5APDE11A
SCHEMBL27655446 0.84 KDM4E (0.39) —
SCHEMBL27675572 0.83 ACHE (0.47) PDE5A
SCHEMBL27655538 0.83 ACHE (0.39) —
SCHEMBL5121978 0.82 PDE5A (0.52) PDE5APDE11APDE6DPDE6APDE6G
SCHEMBL27675471 0.81 KDM4E (0.43) PDE5ABCDIN3D
SCHEMBL27655438 0.81 PDE5A (0.41) PDE5APDE11ABCDIN3D

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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