SCHEMBL5864833

SCHEMBL5864833

CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(O)c3ccccc3Br)sc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 15/20 0.39
CYP2C9 P11712 3/20 0.37
MAPKAPK2 P49137 1/20 0.37
CAMK2B Q13554 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
PDE2A O00408 3/20 0.37
PDE1A P54750 3/20 0.37
PDE1B Q01064 3/20 0.37
PDE1C Q14123 3/20 0.37
CYP3A4 P08684 2/20 0.37
SLC16A7 O60669 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5864909 0.88 SMN1; SMN2 (0.39) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864781 0.87 SLC16A1 (0.47) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5865248 0.85 PDE1A (0.41) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864884 0.82 SLC16A1 (0.49) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7007349 0.81 PDE1A (0.38) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7006816 0.80 SLC16A1 (0.42) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7004534 0.80 PDE1A (0.41) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL8141177 0.79 SLC16A1 (0.39) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7006740 0.79 PDE1A (0.38) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864895 0.79 PDE3B (0.47) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4

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