SCHEMBL18796716

SCHEMBL18796716

CCOC(=O)c1cc(Cc2ccc(C#N)cc2)c(=O)[nH]c1-c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.80
▸ PDE3A Q14432 5/20 0.80
▸ MDM2 Q00987 1/20 0.44
▸ KDM4E B2RXH2 6/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRB2 P47870 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
SCHEMBL18796629 0.86 PDE3B (0.85) PDE3BPDE3AMDM2KDM4ETDP1
SCHEMBL18796656 0.85 PDE3B (0.73) PDE3BPDE3AKDM4ETDP1L3MBTL1
SCHEMBL18796782 0.84 PDE3B (0.80) PDE3BPDE3AMDM2KDM4ETDP1
SCHEMBL18796626 0.82 PDE3B (0.78) PDE3BPDE3AMDM2KDM4ETDP1
SCHEMBL30741085 0.81 GCGR (0.57) PDE3BPDE3AMDM2KDM4ETDP1
SCHEMBL18796728 0.80 PDE3B (0.82) PDE3BPDE3AMDM2KDM4ETDP1
SCHEMBL18796747 0.80 PDE3B (0.82) PDE3BPDE3AMDM2KDM4ETDP1
SCHEMBL18819730 0.79 PDE3B (0.76) PDE3BPDE3AMDM2KDM4ETDP1
SCHEMBL18796695 0.79 PDE3B (0.76) PDE3BPDE3AMDM2KDM4ETDP1
SCHEMBL18796742 0.79 PDE3B (0.76) PDE3BPDE3AMDM2KDM4ETDP1

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 3 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 claimed
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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