SCHEMBL7010147

SCHEMBL7010147

CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(O)c3nc4ccccc4n3C)sc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
SLC16A1 P53985 6/20 0.43
CYP2C9 P11712 4/20 0.43
CYP3A4 P08684 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 1/20 0.42
PDE1A P54750 5/20 0.41
PDE1B Q01064 5/20 0.41
PDE1C Q14123 5/20 0.41
PDE2A O00408 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7005962 0.86 KMT2A (0.42) ALDH1A1KMT2ASLC16A1CYP2C9CYP3A4
SCHEMBL7013217 0.85 KMT2A (0.44) ALDH1A1KMT2ASMN1; SMN2TSHRMEN1
SCHEMBL5864730 0.83 LMNA (0.43) ALDH1A1SLC16A1CYP2C9CYP3A4SMN1; SMN2
SCHEMBL7005464 0.83 MAPK1 (0.44) ALDH1A1KMT2ASLC16A1CYP2C9CYP3A4
SCHEMBL5865248 0.81 PDE1A (0.41) ALDH1A1SLC16A1CYP2C9CYP3A4SMN1; SMN2
SCHEMBL5864656 0.81 SLC16A1 (0.41) ALDH1A1SLC16A1CYP2C9CYP3A4SMN1; SMN2
SCHEMBL7009840 0.81 PDE1A (0.43) ALDH1A1SLC16A1CYP2C9CYP3A4SMN1; SMN2
SCHEMBL5864884 0.81 SLC16A1 (0.49) ALDH1A1KMT2ASLC16A1CYP2C9CYP3A4
SCHEMBL7007438 0.80 SLC16A1 (0.44) ALDH1A1KMT2ASLC16A1CYP2C9CYP3A4
SCHEMBL7007701 0.80 SLC16A1 (0.51) ALDH1A1KMT2ASLC16A1CYP2C9CYP3A4

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 8 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 claimed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US claimed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP claimed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO claimed
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