SCHEMBL7004524

SCHEMBL7004524

Cn1c(=O)c2c(C(=O)N3CCC3)csc2n(CC2CC2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC16A1 P53985 4/20 0.39
ADORA2B P29275 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.35
MAPT P10636 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C8 P10632 1/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 2/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL6350931 0.84 NOTUM (0.44) LMNAPOLBALDH1A1ADORA2BADORA1
SCHEMBL7007619 0.82 SLC16A1 (0.51) ALDH1A1SLC16A1CYP3A4CYP2C9
SCHEMBL4801047 0.80 ALDH1A1 (0.40) LMNAPOLBALDH1A1MAPTCYP3A4
SCHEMBL7006901 0.68 SLC16A1 (0.59) SLC16A1CYP3A4CYP2C9
SCHEMBL7008494 0.67 SLC16A1 (0.52) SLC16A1CYP3A4CYP2C9
SCHEMBL7008006 0.66 PARG (0.43) LMNAPOLBALDH1A1ADORA2BADORA1
SCHEMBL7008610 0.66 PDE1A (0.41) LMNAALDH1A1SLC16A1ADORA1CYP3A4
SCHEMBL4804328 0.65 ADORA2B (0.43) LMNAALDH1A1ADORA2BMAPTCYP1A2
SCHEMBL3831387 0.64 ALDH1A1 (0.40) LMNAALDH1A1ADORA2BMAPTCYP3A4
SCHEMBL7017390 0.61 DRD2 (0.42) LMNAPOLBALDH1A1MAPTCYP3A4

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