SCHEMBL11061207

SCHEMBL11061207

CC1CC(=O)NN=C1C=Cc1ccc(-n2ccnc2)s1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 18/20 0.68
▸ PDE3A Q14432 18/20 0.68
▸ PDE4A P27815 2/20 0.52
▸ PDE4B Q07343 2/20 0.52
▸ PDE4C Q08493 2/20 0.52
▸ PDE4D Q08499 2/20 0.52
▸ PDE2A O00408 1/20 0.42
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PBRM1 Q86U86 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33

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
SCHEMBL11061204 1.00 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7280326 0.81 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7280332 0.81 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11020978 0.80 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11020974 0.80 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10646114 0.80 PDE3A (0.63) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11062828 0.79 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11062826 0.79 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11017552 0.77 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11017553 0.77 PDE3B (0.65) 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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