SCHEMBL18796709

SCHEMBL18796709

Cc1[nH]c(=O)c(Cc2cccc(Br)c2)cc1C#N

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 5/20 0.66
▸ PDE3A Q14432 5/20 0.66
▸ KDM4E B2RXH2 3/20 0.48
▸ HPGD P15428 2/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ GRIN2A Q12879 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ IL4I1 Q96RQ9 1/20 0.37
▸ PARP15 Q460N3 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL18796756 0.87 PDE3B (0.73) PDE3BPDE3AKDM4EHPGDGALR3
SCHEMBL18796777 0.85 PDE3B (0.66) PDE3BPDE3AKDM4EHPGDGALR3
SCHEMBL18796651 0.82 PDE3B (0.63) PDE3BPDE3AKDM4EALDH1A1GAA
SCHEMBL18796622 0.81 PDE3B (0.44) PDE3BPDE3AKDM4EHPGDPARP1
SCHEMBL18796720 0.81 PDE3B (0.62) PDE3BPDE3AKDM4E
SCHEMBL18796696 0.81 PDE3B (0.60) PDE3BPDE3AKDM4EPARP1ALDH1A1
SCHEMBL18796726 0.80 PDE3B (0.70) PDE3BPDE3AKDM4EHPGDGALR3
SCHEMBL18796789 0.79 PDE3B (0.61) PDE3BPDE3AKDM4EHPGDGALR3
SCHEMBL18796744 0.79 PDE3B (0.82) PDE3BPDE3AKDM4EHPGDGALR3
SCHEMBL18796642 0.79 PDE3B (0.82) 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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