SCHEMBL5864531

SCHEMBL5864531

CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(O)c3cccc(Oc4ccccc4)c3)sc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
SLC16A1 P53985 6/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
CAMK2B Q13554 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
PDE2A O00408 3/20 0.36
PDE1A P54750 3/20 0.36
PDE1B Q01064 3/20 0.36
PDE1C Q14123 3/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.35
IDH1 O75874 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5865248 0.89 PDE1A (0.41) SLC16A1CYP2C9CYP3A4MAPKAPK2CAMK2B
SCHEMBL5864724 0.84 LMNA (0.42) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7009336 0.78 PDE1A (0.38) SLC16A1CYP2C9CYP3A4MAPKAPK2CAMK2B
SCHEMBL5864656 0.77 SLC16A1 (0.41) SLC16A1CYP2C9CYP3A4MAPKAPK2CAMK2B
SCHEMBL5865049 0.76 SLC16A1 (0.41) SLC16A1CYP2C9CYP3A4MAPKAPK2CAMK2B
SCHEMBL8141177 0.75 SLC16A1 (0.39) SLC16A1CYP2C9CYP3A4MAPKAPK2CAMK2B
SCHEMBL7010147 0.74 ALDH1A1 (0.44) SLC16A1CYP2C9CYP3A4PDE2APDE1A
SCHEMBL7009840 0.73 PDE1A (0.43) SLC16A1CYP2C9CYP3A4PDE2APDE1A
SCHEMBL5864704 0.69 SMN1; SMN2 (0.41) SLC16A1CYP2C9CYP3A4MAPKAPK2CAMK2B
SCHEMBL7666935 0.68 SLC16A1 (0.43) SLC16A1CYP2C9CYP3A4MAPKAPK2CAMK2B

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
US-6984644-B2 Treatment of skin disorders using thieno[2,3-D]pyrimidinediones ASTRAZENECA AB (SE) 2006-01-10 US claimed
US-6469014-B1 IMMUNOSUPPRESSIVE ACTIVITY ASTRAZENECA AB (SE) 2002-10-22 US claimed
EP-0991653-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-16 EP claimed
US-6984644-B2 Treatment of skin disorders using thieno[2,3-D]pyrimidinediones ASTRAZENECA AB (SE) 2006-01-10 US disclosed
US-6469014-B1 IMMUNOSUPPRESSIVE ACTIVITY ASTRAZENECA AB (SE) 2002-10-22 US disclosed