SCHEMBL7344339

SCHEMBL7344339

Cc1[nH]c(=O)c(C#N)cc1-c1ccc2cccnc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 5/20 0.60
PDE3B Q13370 4/20 0.60
HPGD P15428 3/20 0.60
KDM4E B2RXH2 3/20 0.60
PDE4A P27815 2/20 0.60
BLM P54132 2/20 0.60
PDE5A O76074 1/20 0.60
LMNA P02545 1/20 0.60
TSHR P16473 1/20 0.60
PTGS1 P23219 1/20 0.60
CYP2C19 P33261 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
ALDH1A1 P00352 2/20 0.59
GALR3 O60755 1/20 0.59
GAA P10253 1/20 0.59
CYP3A4 P08684 1/20 0.54
NFKB1 P19838 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL2453540 0.91 PDE3A (0.60) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL29424274 0.91 PDE3A (0.60) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL7349019 0.85 PDE3A (0.62) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10912708 0.77 PDE3A (0.72) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10981195 0.76 KDM4E (0.62) PDE3APDE3BHPGDKDM4EPDE4A
SCHEMBL10911458 0.76 PDE3A (0.71) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL36947 0.75 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL9247989 0.75 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL9309054 0.75 PDE3A (1.00) PDE3APDE3BHPGDKDM4EPDE4A
Milrinone SCHEMBL9301167 0.75 PDE3A (1.00) 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 claimed