SCHEMBL18796747

SCHEMBL18796747

CCOC(=O)c1cc(Cc2cccc(Br)c2)c(=O)[nH]c1-c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 8/20 0.82
▸ PDE3A Q14432 8/20 0.82
▸ PTGES O14684 2/20 0.47
▸ ALOX5 P09917 2/20 0.47
▸ CYP19A1 P11511 1/20 0.46
▸ MDM2 Q00987 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL18796728 0.88 PDE3B (0.82) PDE3BPDE3APTGESALOX5MDM2
SCHEMBL18796736 0.86 PDE3B (0.77) PDE3BPDE3APTGESALOX5KDM4E
SCHEMBL18796711 0.85 PDE3B (0.77) PDE3BPDE3APTGESMDM2KDM4E
SCHEMBL18796695 0.84 PDE3B (0.76) PDE3BPDE3AMDM2KDM4EMAPT
SCHEMBL18796626 0.83 PDE3B (0.78) PDE3BPDE3APTGESALOX5MDM2
SCHEMBL18796629 0.83 PDE3B (0.85) PDE3BPDE3AALOX5MDM2KDM4E
SCHEMBL18796716 0.80 PDE3B (0.80) PDE3BPDE3AMDM2KDM4EMAPT
SCHEMBL18796782 0.80 PDE3B (0.80) PDE3BPDE3AALOX5MDM2KDM4E
SCHEMBL18819730 0.80 PDE3B (0.76) PDE3BPDE3AMDM2KDM4EMAPT
SCHEMBL18796742 0.80 PDE3B (0.76) PDE3BPDE3AMDM2KDM4EMAPT

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
WO-2017072796-A1 2-PYRIDONE BASED COMPOUNDS USEFUL AS POTENTIAL PHOSPHODIESTERASE3A (PDE3A)INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-04 — — WO disclosed
WO-2017072796-A1 2-PYRIDONE BASED COMPOUNDS USEFUL AS POTENTIAL PHOSPHODIESTERASE3A (PDE3A)INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-04 — — WO disclosed
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