SCHEMBL18796706

SCHEMBL18796706

CCOC(=O)c1cc(Cc2ccccc2Br)c(=O)[nH]c1C

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.69
▸ PDE3A Q14432 6/20 0.69
▸ ALDH1A1 P00352 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ POLB P06746 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ KDM4E B2RXH2 5/20 0.47
▸ TSHR P16473 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42

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
SCHEMBL18796628 0.89 PDE3B (0.74) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL18796695 0.86 PDE3B (0.76) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL18796633 0.85 PDE3B (0.62) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL18796699 0.85 PDE3B (0.54) PDE3BPDE3AALDH1A1POLBGAA
SCHEMBL18796736 0.81 PDE3B (0.77) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL18820635 0.79 PDE3B (0.81) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL18796638 0.78 PDE3B (0.79) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL18796691 0.77 PDE3B (0.70) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL18796715 0.77 PDE3B (0.78) PDE3BPDE3AALDH1A1MAPTL3MBTL1
SCHEMBL18796658 0.76 PDE3B (0.76) PDE3BPDE3AALDH1A1MAPTL3MBTL1

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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