SCHEMBL17004347

SCHEMBL17004347

CCC(O)C#Cc1cccc(-c2c(-c3cccs3)c(=O)[nH]c3cc(OC)c(OC)cc23)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.61
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
FASN P49327 1/20 0.35
SMPD3 Q9NY59 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34

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
SCHEMBL17004345 0.88 PDE2A (0.64) PDE2AALDH1A1MAPTLMNAFASN
SCHEMBL2681280 0.85 PDE2A (0.75) PDE2AALDH1A1MAPTLMNAFASN
SCHEMBL2680045 0.83 PDE2A (0.64) PDE2AALDH1A1MAPTLMNAFASN
SCHEMBL959342 0.83 PDE2A (0.66) PDE2AALDH1A1MAPTLMNAFASN
SCHEMBL2680677 0.83 PDE2A (0.68) PDE2AALDH1A1MAPTLMNAFASN
SCHEMBL936083 0.81 PDE2A (0.67) PDE2AALDH1A1MAPTLMNAKDM4E
SCHEMBL955665 0.79 PDE2A (0.77) PDE2AALDH1A1MAPTLMNAFASN
SCHEMBL961087 0.79 PDE2A (0.73) PDE2AALDH1A1MAPTLMNASMPD3
SCHEMBL2680564 0.79 PDE2A (0.67) PDE2AALDH1A1MAPTLMNAFASN
SCHEMBL6349005 0.79 PDE2A (0.69) PDE2AALDH1A1MAPTLMNAFASN

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
EP-2456440-B1 QUINOLINONE PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP claimed