SCHEMBL18796622

SCHEMBL18796622

N#Cc1cc(Cc2cccc(Br)c2)c(=O)[nH]c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.44
▸ PDE3A Q14432 3/20 0.44
▸ HSD11B1 P28845 1/20 0.41
▸ NR3C1 P04150 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GALR3 O60755 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MCL1 Q07820 2/20 0.37
▸ IL4I1 Q96RQ9 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ BIRC5 O15392 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ LMNA P02545 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
SCHEMBL18796797 0.86 PDE3B (0.46) PDE3BPDE3AHSD11B1ALDH1A1HPGD
SCHEMBL18796666 0.83 KDM4E (0.50) PDE3BPDE3AALDH1A1HPGDKDM4E
SCHEMBL18796639 0.83 MEN1 (0.48) PDE3BPDE3AHSD11B1NR3C1ALDH1A1
SCHEMBL18796776 0.82 PDE3B (0.47) PDE3BPDE3AHSD11B1ALDH1A1HPGD
SCHEMBL18796703 0.82 PGR (0.41) PDE3BPDE3AHSD11B1ALDH1A1GAA
SCHEMBL18796709 0.81 PDE3B (0.66) PDE3BPDE3APARP1ALDH1A1HPGD
SCHEMBL18796621 0.81 PDE3B (0.44) PDE3BPDE3AHSD11B1ALDH1A1HPGD
SCHEMBL18796723 0.81 PDE3B (0.52) PDE3BPDE3AHSD11B1ALDH1A1HPGD
SCHEMBL18796788 0.81 PDE3B (0.46) PDE3BPDE3AHSD11B1ALDH1A1HPGD
SCHEMBL18796624 0.81 PDE3B (0.51) PDE3BPDE3AHSD11B1ALDH1A1HPGD

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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