SCHEMBL5865253

SCHEMBL5865253

CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(O)c3ccc([N+](=O)[O-])cc3)sc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.37
PDE1A P54750 4/20 0.36
PDE1B Q01064 4/20 0.36
PDE1C Q14123 4/20 0.36
PDE2A O00408 3/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 2/20 0.34
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC16A1 P53985 3/20 0.33
CYP2C9 P11712 2/20 0.33
MAPKAPK2 P49137 1/20 0.33
CAMK2B Q13554 1/20 0.33
HIPK4 Q8NE63 1/20 0.33
THRB P10828 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 1/20 0.32

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 0.85 PDE1A (0.41) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL7004534 0.84 PDE1A (0.41) PARGPDE1APDE1BPDE1CPDE2A
SCHEMBL5864812 0.82 ALDH1A1 (0.39) PARGPDE1APDE1BPDE1CPDE2A
SCHEMBL7009336 0.81 PDE1A (0.38) PARGPDE1APDE1BPDE1CPDE2A
SCHEMBL5864724 0.79 LMNA (0.42) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL7006740 0.77 PDE1A (0.38) PARGPDE1APDE1BPDE1CPDE2A
SCHEMBL5865238 0.76 SMN1; SMN2 (0.43) PDE1APDE1BPDE1CPDE2AALDH1A1
SCHEMBL5865049 0.76 SLC16A1 (0.41) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL5864531 0.76 PTGS1 (0.39) PDE1APDE1BPDE1CPDE2AMAPT
SCHEMBL5864656 0.75 SLC16A1 (0.41) PDE1APDE1BPDE1CPDE2AMAPT

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 7 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
EP-0991653-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-16 EP disclosed
US-6342502-B1 ANTIASTHMATICS ASTRAZENECA AB (GB) 2002-01-29 US disclosed