SCHEMBL7349019

SCHEMBL7349019

CCc1[nH]c(=O)c(C#N)cc1-c1ccc2cccnc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 5/20 0.62
PDE3B Q13370 4/20 0.62
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PDE4A P27815 2/20 0.42
BLM P54132 2/20 0.42
PDE5A O76074 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GALR3 O60755 1/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 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
SCHEMBL7344339 0.85 PDE3A (0.60) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11223772 0.78 PDE3A (0.73) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10707484 0.78 PDE3B (0.73) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10998629 0.77 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL11252161 0.76 PDE3A (0.63) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL29424274 0.76 PDE3A (0.60) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL2453540 0.76 PDE3A (0.60) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10888479 0.74 PDE3A (0.71) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10986964 0.74 PDE3A (0.74) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10987296 0.73 PDE3A (0.62) PDE3APDE3BHPGDKDM4EPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5141931-A 5-Quinolinylpyridinones, cardiotonic compositions and methods STERLING WINTHROP INC. (US) 1992-08-25 US disclosed