SCHEMBL9825326

SCHEMBL9825326

CC1Cc2cc(-n3ccnc3)ccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.57
PDE3A Q14432 9/20 0.57
CRBN Q96SW2 3/20 0.49
TBXAS1 P24557 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
ADH5 P11766 1/20 0.43
ACHE P22303 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
IDO1 P14902 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP3A4 P08684 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41

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
SCHEMBL9825522 0.84 PDE3B (0.60) PDE3BPDE3ACRBNTBXAS1PDE4A
SCHEMBL10736484 0.79 PDE3B (0.52) PDE3BPDE3ACRBNTBXAS1ADH5
SCHEMBL28274911 0.75 PDE3B (0.60) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL7288894 0.74 PDE3B (0.58) PDE3BPDE3ACRBNTBXAS1PDE4A
SCHEMBL7273296 0.74 PDE3B (0.60) PDE3BPDE3ACRBNTBXAS1PDE4A
SCHEMBL8881314 0.73 PDE3B (0.46) PDE3BPDE3ACRBNTBXAS1ADH5
SCHEMBL9381030 0.73 PDE3B (1.00) PDE3BPDE3ACRBNTBXAS1PDE4A
SCHEMBL8881958 0.71 PDE3B (0.48) PDE3BPDE3ACRBNTBXAS1ADH5
SCHEMBL16097172 0.69 PDE3B (0.57) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL27294863 0.68 CYP19A1 (0.53) PDE3BPDE3ACRBNTBXAS1ADH5

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
EP-0247724-B1 THIADIAZINON DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-09-11 EP disclosed
US-4861773-A Heterocyclic compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-08-29 US disclosed
EP-0247724-A1 Thiadiazinon derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-12-02 EP disclosed