SCHEMBL6973656

SCHEMBL6973656

O=[N+]([O-])c1ccc(Sc2cccc3cnccc23)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.60
PDE4B Q07343 1/20 0.60
PDE4D Q08499 1/20 0.60
PDE7B Q9NP56 1/20 0.60
LMNA P02545 7/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PSMD14 O00487 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47
ALPG P10696 1/20 0.47

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
SCHEMBL27581731 0.85 PDE7A (0.67) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL6963693 0.81 MAPT (0.60) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL6965142 0.81 PDE7A (0.47) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL6968494 0.79 ALDH1A1 (0.64) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL4029471 0.78 MEN1 (0.76) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL6969782 0.78 LMNA (0.57) PDE7ALMNAKMT2AMAPTMEN1
SCHEMBL27581742 0.77 PDE7A (0.75) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL6968103 0.77 MAPT (0.48) PDE7APDE4BPDE4DPDE7BLMNA
SCHEMBL6973592 0.76 LMNA (0.44) PDE7ALMNAKMT2AMAPTMEN1
SCHEMBL8357964 0.76 SLC6A2 (0.49) PDE7APDE4BPDE4DPDE7BLMNA

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-0855391-B1 NOVEL ISOQUINOLINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-10-15 EP disclosed
US-5959107-A Isoquinoline derivatives SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-09-28 US disclosed
EP-0855391-A1 NOVEL ISOQUINOLINE DERIVATIVES SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1998-07-29 EP disclosed