SCHEMBL11501103

SCHEMBL11501103

CCCCCc1nc2ccccc2c(=O)n1CCCCC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.70
PDE4B Q07343 2/20 0.70
PDE4C Q08493 2/20 0.70
PDE4D Q08499 2/20 0.70
SMN1; SMN2 Q16637 3/20 0.69
ATM Q13315 1/20 0.69
LMNA P02545 4/20 0.67
TSHR P16473 3/20 0.67
PTK2B Q14289 1/20 0.64
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.51
TLR8 Q9NR97 1/20 0.51
TLR7 Q9NYK1 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL1042983 0.91 LMNA (0.64) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL8481498 0.91 LMNA (0.64) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
Hydrochloric Acid SCHEMBL8486883 0.90 LMNA (0.66) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
Hydrochloric Acid SCHEMBL1038937 0.90 LMNA (0.66) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL1037717 0.89 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL1038890 0.89 LMNA (0.61) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL1041457 0.89 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL1039145 0.89 LMNA (0.61) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL1042520 0.89 LMNA (0.61) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL1042773 0.89 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2660238-B1 Compounds for the prevention and treatment of cardiovascular disease RESVERLOGIX CORP (CA) 2015-05-06 EP disclosed
EP-2382194-B1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE RESVERLOGIX CORP (CA) 2014-03-12 EP disclosed
US-4183931-A SEDATIVE-HYPNOTICS, ANTICONVULSANTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS RESEARCH CORPORATION (US) 1980-01-15 US disclosed