SCHEMBL7008494

SCHEMBL7008494

Cn1c(=O)c2c(C(=O)N3CCC3)c(C(O)c3nc4ccccc4n3C)sc2n(CC2CC2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 15/20 0.52
CYP2C9 P11712 9/20 0.52
CYP3A4 P08684 5/20 0.52
SLC16A7 O60669 1/20 0.41
BRD4 O60885 3/20 0.36
PADI4 Q9UM07 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL7006901 0.82 SLC16A1 (0.59) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL7005962 0.76 KMT2A (0.42) SLC16A1CYP2C9CYP3A4BRD4PTGER4
SCHEMBL5805048 0.72 SLC16A1 (0.47) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL7005645 0.72 SLC16A1 (0.47) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL7007701 0.71 SLC16A1 (0.51) SLC16A1CYP2C9CYP3A4
SCHEMBL4920834 0.69 SLC16A1 (0.44) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL7004524 0.67 LMNA (0.40) SLC16A1CYP2C9CYP3A4
SCHEMBL7008632 0.66 BRD4 (0.41) CYP3A4BRD4
SCHEMBL7010063 0.66 SLC16A1 (0.69) SLC16A1CYP2C9CYP3A4SLC16A7
SCHEMBL4920817 0.65 SLC16A1 (0.44) 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