SCHEMBL11018450

SCHEMBL11018450

Cc1cc(=O)[nH]nc1/C=C/c1ccc(-n2ccnc2C)s1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ PDE4A P27815 3/20 0.34
▸ PDE4B Q07343 3/20 0.34
▸ PDE4C Q08493 3/20 0.34
▸ PDE4D Q08499 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ ADH5 P11766 1/20 0.30

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
SCHEMBL11018454 1.00 PDE3B (0.34) PDE3BPDE3AMGAMGAASI
SCHEMBL11020025 0.81 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11020022 0.81 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10725018 0.72 ALDH1A1 (0.53) PDE3BPDE3AMGAMGAASI
SCHEMBL11020513 0.70 PDE3B (0.49) PDE3BPDE3AMGAMGAASI
SCHEMBL11020516 0.70 PDE3B (0.49) PDE3BPDE3AMGAMGAASI
SCHEMBL16692753 0.65 CYP3A4 (0.44) PDE3BPDE3AMGAMGAASI
SCHEMBL7284849 0.63 LMNA (0.44) —
SCHEMBL2050580 0.63 CYP3A4 (0.42) PDE3BPDE3AMGAMGAASI
SCHEMBL10764950 0.62 PTGS1 (0.61) ALDH1A1

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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