SCHEMBL7009840

SCHEMBL7009840

CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(O)c3nc4ccccc4[nH]3)sc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 7/20 0.43
PDE1B Q01064 7/20 0.43
PDE1C Q14123 7/20 0.43
PDE2A O00408 3/20 0.42
MLKL Q8NB16 2/20 0.41
SLC16A1 P53985 4/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
SLC16A7 O60669 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL5864730 0.81 LMNA (0.43) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7010147 0.81 ALDH1A1 (0.44) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7005464 0.81 MAPK1 (0.44) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL5865248 0.80 PDE1A (0.41) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL5864656 0.80 SLC16A1 (0.41) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL5864884 0.79 SLC16A1 (0.49) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7006816 0.78 SLC16A1 (0.42) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL5864781 0.78 SLC16A1 (0.47) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL5864909 0.77 SMN1; SMN2 (0.39) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7004534 0.77 PDE1A (0.41) PDE1APDE1BPDE1CPDE2ASLC16A1

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-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP disclosed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed