SCHEMBL9726528

SCHEMBL9726528

CCOc1cccc(CNc2cnn(C(C)C)c(=O)c2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.52
BRD9 Q9H8M2 3/20 0.52
BPTF Q12830 2/20 0.51
PDE9A O76083 3/20 0.48
KAT2B Q92831 2/20 0.48
PDE1A P54750 4/20 0.43
PDE1B Q01064 4/20 0.43
PDE1C Q14123 4/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
APAF1 O14727 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RX7 Q99572 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GRM2 Q14416 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL9726508 0.90 BRD4 (0.52) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726558 0.88 PDE9A (0.49) BRD4BRD9BPTFPDE9APDE1A
SCHEMBL9726477 0.88 PDE9A (0.48) BRD4BRD9BPTFPDE9APDE1A
SCHEMBL10601786 0.87 BPTF (0.53) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726512 0.86 BRD4 (0.47) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726499 0.86 PDE9A (0.47) BRD4BRD9BPTFPDE9APDE1A
SCHEMBL9726581 0.85 BRD4 (0.54) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726500 0.85 BRD4 (0.46) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726437 0.84 BPTF (0.50) BRD4BRD9BPTFPDE9AKAT2B
SCHEMBL9726707 0.84 BRD4 (0.45) BRD4BRD9BPTFPDE9AKAT2B

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