SCHEMBL27479673

SCHEMBL27479673

CC1CC(=O)NN=C1c1ccc(NN=Cc2ccc(N(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 14/20 0.55
▸ PDE3A Q14432 14/20 0.55
▸ TNNC1 P63316 1/20 0.55
▸ MPO P05164 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ GAA P10253 2/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44

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
SCHEMBL5681543 0.87 PDE3B (0.60) PDE3BPDE3ATNNC1ALDH1A1KDM4E
SCHEMBL5681538 0.87 PDE3B (0.60) PDE3BPDE3ATNNC1ALDH1A1KDM4E
SCHEMBL5679347 0.85 PDE3B (0.55) PDE3BPDE3ATNNC1ALDH1A1KDM4E
SCHEMBL5679353 0.85 PDE3B (0.55) PDE3BPDE3ATNNC1ALDH1A1KDM4E
SCHEMBL6744002 0.84 PDE3B (0.54) PDE3BPDE3ATNNC1ALDH1A1KDM4E
SCHEMBL6743999 0.84 PDE3B (0.54) PDE3BPDE3ATNNC1ALDH1A1KDM4E
SCHEMBL5679283 0.84 PDE3B (0.62) PDE3BPDE3ATNNC1ALDH1A1KDM4E
SCHEMBL5680478 0.84 PDE3B (0.54) PDE3BPDE3ATNNC1ALDH1A1KDM4E
SCHEMBL5680473 0.84 PDE3B (0.54) PDE3BPDE3ATNNC1ALDH1A1KDM4E
SCHEMBL5676756 0.80 PDE3B (0.56) PDE3BPDE3ATNNC1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1191241-C Pyridazinylphenylhydrazones for anti-congestive heart failure ORION CORP (FI) 2005-03-02 — — CN disclosed
CN-1418196-A Pyridazinylphenylhydrazones for anti-congestive heart failure ORION CORP (FI) 2003-05-14 — — CN disclosed
Send feedback