SCHEMBL7005645

SCHEMBL7005645

CC(C)Cn1c(=O)n(C)c(=O)c2c(Br)c(C(O)c3nc4ccccc4n3C)sc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 14/20 0.47
CYP2C9 P11712 8/20 0.47
CYP3A4 P08684 6/20 0.47
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.40
SLC16A7 O60669 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
CAMK2B Q13554 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.38
PDE2A O00408 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38

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
SCHEMBL7007701 0.87 SLC16A1 (0.51) SLC16A1CYP2C9CYP3A4ALDH1A1KMT2A
SCHEMBL6638971 0.81 SLC16A1 (0.53) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL7007940 0.80 SLC16A1 (0.49) SLC16A1CYP2C9CYP3A4ALDH1A1KMT2A
SCHEMBL7010147 0.79 ALDH1A1 (0.44) SLC16A1CYP2C9CYP3A4ALDH1A1KMT2A
SCHEMBL7011900 0.77 SLC16A1 (0.40) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL6344020 0.77 SLC16A1 (0.53) SLC16A1CYP2C9CYP3A4
SCHEMBL6638688 0.76 SLC16A1 (0.41) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL6637224 0.74 SLC16A1 (0.39) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2
SCHEMBL7008682 0.72 SLC16A1 (0.50) SLC16A1CYP2C9CYP3A4ALDH1A1KMT2A
SCHEMBL7008494 0.72 SLC16A1 (0.52) 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