SCHEMBL9825522

SCHEMBL9825522

O=C1c2ccc(-n3ccnc3)cc2CC1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.60
PDE3A Q14432 9/20 0.60
CRBN Q96SW2 3/20 0.49
TBXAS1 P24557 1/20 0.49
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP19A1 P11511 2/20 0.42
IDO1 P14902 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ADH5 P11766 2/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL9825326 0.84 PDE3B (0.57) PDE3BPDE3ACRBNTBXAS1PDE4A
SCHEMBL10736484 0.79 PDE3B (0.52) PDE3BPDE3ACRBNTBXAS1CYP19A1
SCHEMBL7268192 0.76 CYP3A4 (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9381030 0.75 PDE3B (1.00) PDE3BPDE3ACRBNTBXAS1PDE4A
SCHEMBL28274911 0.75 PDE3B (0.60) PDE3BPDE3ACRBNTBXAS1CYP11B1
SCHEMBL7288894 0.74 PDE3B (0.58) PDE3BPDE3ACRBNTBXAS1PDE4A
SCHEMBL7273296 0.74 PDE3B (0.60) PDE3BPDE3ACRBNTBXAS1PDE4A
SCHEMBL7266092 0.74 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8881314 0.73 PDE3B (0.46) PDE3BPDE3ACRBNTBXAS1HTR2A
SCHEMBL8881958 0.71 PDE3B (0.48) PDE3BPDE3ACRBNTBXAS1HTR2A

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 5 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 claimed
EP-0247724-A1 Thiadiazinon derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-12-02 EP claimed
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
WO-1989003832-A1 THERAPEUTICALLY ACTIVE CONDENSED THIADIAZINONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-05-05 WO disclosed