SCHEMBL9726564

SCHEMBL9726564

COc1ccc(CNc2cnn(C(C)C)c(=O)c2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 7/20 0.58
BRD4 O60885 2/20 0.50
BRD9 Q9H8M2 2/20 0.50
PDE1A P54750 1/20 0.49
PDE1B Q01064 1/20 0.49
PDE1C Q14123 1/20 0.49
PDE5A O76074 1/20 0.45
PDE6C P51160 1/20 0.45
PDE4D Q08499 1/20 0.45
GRM2 Q14416 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ASPH Q12797 1/20 0.45
RIOX2 Q8IUF8 1/20 0.45
KDM8 Q8N371 1/20 0.45
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
BPTF Q12830 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9726814 0.87 PDE9A (0.57) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL9726516 0.86 PDE9A (0.56) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL9726473 0.84 PDE9A (0.54) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL9726400 0.83 PDE9A (0.62) PDE9AGAAMAPTMEN1KMT2A
SCHEMBL9726397 0.80 KDM4E (0.45) PDE9ABRD4BRD9PDE1APDE1B
SCHEMBL9726861 0.79 POLB (0.41) PDE9ABRD4BRD9PDE1APDE1B
SCHEMBL9726558 0.78 PDE9A (0.49) PDE9ABRD4BRD9PDE1APDE1B
SCHEMBL10601786 0.75 BPTF (0.53) PDE9ABRD4BRD9PDE1APDE1B
SCHEMBL9726529 0.75 PDE9A (0.45) PDE9APDE1APDE1BPDE1CMAPT
SCHEMBL10599280 0.75 BRD4 (0.70) PDE9ABRD4BRD9BPTFMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US claimed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP claimed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP claimed
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed