SCHEMBL16229880

SCHEMBL16229880

CCOc1cc(Cn2c(=O)c3cc(OCC#N)ccc3n(C3CCN(C(C)=O)CC3)c2=O)ccc1OC

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 10/20 0.72
▸ PDE7B Q9NP56 5/20 0.72
▸ PDE8A O60658 3/20 0.54
▸ CASR P41180 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL99700 0.95 PDE7A (0.79) PDE7APDE7BPDE8ACASRMAPT
SCHEMBL7883412 0.85 PDE7A (0.66) PDE7APDE7BPDE8AMAPTMEN1
SCHEMBL581681 0.85 PDE7A (0.79) PDE7APDE7BPDE8ACASRALDH1A1
SCHEMBL30837814 0.84 PDE7A (0.82) PDE7APDE7BPDE8ACASRMAPT
SCHEMBL2681821 0.84 PDE7A (0.82) PDE7APDE7BPDE8ACASRMAPT
SCHEMBL100526 0.84 PDE7A (0.64) PDE7APDE7BPDE8AMAPTMEN1
SCHEMBL30837824 0.84 PDE7A (0.80) PDE7APDE7BPDE8ACASRALDH1A1
SCHEMBL99689 0.84 PDE7A (0.80) PDE7APDE7BPDE8ACASRALDH1A1
SCHEMBL99715 0.84 PDE7A (0.80) PDE7APDE7BPDE8AMAPTMEN1
SCHEMBL100515 0.83 PDE7A (0.66) PDE7APDE7BPDE8AALDH1A1MAPT

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-2416777-B1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI SA (FR) 2014-11-12 — — EP disclosed
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