SCHEMBL18796642

SCHEMBL18796642

Cc1[nH]c(=O)c(Cc2ccc(C#N)cc2)cc1C#N

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.82
▸ PDE3A Q14432 3/20 0.82
▸ IDH1 O75874 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ DAO P14920 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 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
SCHEMBL18796744 0.89 PDE3B (0.82) PDE3BPDE3AKDM4EHPGDGALR3
SCHEMBL18796659 0.87 PDE3B (0.80) PDE3BPDE3AKDM4EHPGDGALR3
SCHEMBL18796719 0.85 PDE3B (0.76) PDE3BPDE3AKDM4EHPGDGALR3
SCHEMBL18796664 0.84 PDE3B (0.74) PDE3BPDE3AIDH1KDM4EHPGD
SCHEMBL18796774 0.82 PDE3B (0.71) PDE3BPDE3AKDM4EHPGDGALR3
SCHEMBL18796726 0.81 PDE3B (0.70) PDE3BPDE3AKDM4EHPGDGALR3
SCHEMBL18796756 0.81 PDE3B (0.73) PDE3BPDE3AKDM4EHPGDGALR3
SCHEMBL18796800 0.80 PDE3B (0.68) PDE3BPDE3AIDH1KDM4EDAO
SCHEMBL18796777 0.79 PDE3B (0.66) PDE3BPDE3AIDH1KDM4EHPGD
SCHEMBL18796709 0.79 PDE3B (0.66) PDE3BPDE3AKDM4EHPGDGALR3

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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