SCHEMBL4230852

SCHEMBL4230852

COc1ccc(C2(C#N)CCC(=O)CC2)c2cc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.45
▸ PDE4B Q07343 4/20 0.45
▸ PDE4C Q08493 4/20 0.45
▸ PDE4D Q08499 4/20 0.45
▸ CECR2 Q9BXF3 1/20 0.34
▸ BRD4 O60885 3/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ P2RX7 Q99572 6/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HPGD P15428 1/20 0.30

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
SCHEMBL4238264 0.83 PDE4B (0.36) PDE4APDE4BPDE4CPDE4DCECR2
SCHEMBL4061817 0.78 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DCECR2
SCHEMBL4229923 0.78 — —
SCHEMBL4058080 0.76 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL2863687 0.73 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL11825573 0.73 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL4232540 0.73 AHR (0.39) PDE4APDE4BPDE4CPDE4DBRD4
SCHEMBL6607682 0.72 PDE4D (0.46) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL11119613 0.72 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL6618935 0.72 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 — — WO disclosed
WO-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 — — WO disclosed
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