SCHEMBL11015670

SCHEMBL11015670

CC1CC(=O)N(C)N=C1C=Cc1ccc(-n2ccnc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 9/20 0.66
▸ PDE3A Q14432 9/20 0.66
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ MAOB P27338 3/20 0.43
▸ CYP17A1 P05093 2/20 0.39
▸ CYP21A2 P08686 2/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ MLLT1 Q03111 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11015667 1.00 PDE3B (0.66) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7280332 0.80 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7280326 0.80 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11203913 0.79 PDE3B (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11015933 0.78 SMN1; SMN2 (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11015932 0.78 SMN1; SMN2 (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7280840 0.70 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8392726 0.68 CYP3A4 (0.69) PDE3BPDE3AMAOBCYP17A1CYP21A2
SCHEMBL2604923 0.68 CYP3A4 (0.69) PDE3BPDE3AMAOBCYP17A1CYP21A2
SCHEMBL7280036 0.67 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150463-A1 Substituted 4.5-dihydro-6-vinyl-3(2H)-pyridazinones and 6-vinyl-3(2H)-pyridazinones and process for producing the same A. Nattermann & Cie. GmbH (DE) 1985-08-07 — — EP disclosed
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