SCHEMBL9726558

SCHEMBL9726558

CCOc1cccc(CNc2cnn(C(C)C)c(=O)c2C)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.49
BRD4 O60885 2/20 0.47
BRD9 Q9H8M2 2/20 0.47
PDE1A P54750 5/20 0.45
PDE1B Q01064 5/20 0.45
PDE1C Q14123 5/20 0.45
APAF1 O14727 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM2 Q14416 3/20 0.41
BPTF Q12830 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9726528 0.88 BRD4 (0.52) PDE9ABRD4BRD9PDE1APDE1B
SCHEMBL9726477 0.88 PDE9A (0.48) PDE9ABRD4BRD9PDE1APDE1B
SCHEMBL9726499 0.87 PDE9A (0.47) PDE9ABRD4BRD9PDE1APDE1B
SCHEMBL9726399 0.85 BRD4 (0.49) PDE9ABRD4BRD9GRM2BPTF
SCHEMBL9726397 0.81 KDM4E (0.45) PDE9ABRD4BRD9PDE1APDE1B
SCHEMBL9726508 0.78 BRD4 (0.52) PDE9ABRD4BRD9L3MBTL1BPTF
SCHEMBL9726564 0.78 PDE9A (0.58) PDE9ABRD4BRD9PDE1APDE1B
SCHEMBL9726486 0.77 PDE9A (0.57) PDE9AGRM2
SCHEMBL9726575 0.77 BRD4 (0.47) PDE9ABRD4BRD9APAF1L3MBTL1
SCHEMBL9726861 0.76 POLB (0.41) PDE9ABRD4BRD9PDE1APDE1B

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
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