SCHEMBL7007619

SCHEMBL7007619

CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CCCC3)csc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 17/20 0.51
CYP2C9 P11712 10/20 0.45
CYP3A4 P08684 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.39
SLC16A7 O60669 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 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
SCHEMBL7008610 0.83 PDE1A (0.41) SLC16A1CYP2C9CYP3A4L3MBTL1MEN1
SCHEMBL7004524 0.82 LMNA (0.40) SLC16A1CYP2C9CYP3A4ALDH1A1
SCHEMBL3833080 0.78 SMN1; SMN2 (0.42) SLC16A1CYP2C9CYP3A4L3MBTL1MEN1
SCHEMBL3829773 0.77 SLC16A1 (0.39) SLC16A1CYP2C9CYP3A4L3MBTL1ALDH1A1
SCHEMBL4803164 0.76 SLC16A1 (0.53) SLC16A1CYP2C9CYP3A4MEN1ALDH1A1
SCHEMBL7005642 0.76 SLC16A1 (0.66) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL6726548 0.75 PDE1A (0.45) SLC16A1CYP3A4ALDH1A1
SCHEMBL7005454 0.75 SLC16A1 (0.65) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL7848415 0.73 SLC16A1 (0.60) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL5864658 0.69 SLC16A1 (0.75) SLC16A1CYP2C9CYP3A4SLC16A7

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 4 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
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US 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