SCHEMBL10768474

SCHEMBL10768474

C#CCS(=O)(=O)c1cc(C(C)=CC2=NNC(=O)CC2C)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 14/20 0.39
▸ PDE4B Q07343 10/20 0.39
▸ PDE3B Q13370 6/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GPR119 Q8TDV5 2/20 0.32

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
SCHEMBL10769779 0.93 PDE3A (0.37) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10771165 0.86 PDE3A (0.40) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10769626 0.86 PDE3A (0.44) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10761795 0.83 PDE3B (0.43) PDE3APDE3BKDM4EALDH1A1
SCHEMBL10761165 0.83 PDE3A (0.47) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10764805 0.82 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10766237 0.81 PDE3B (0.39) PDE3APDE3BKDM4EALDH1A1
SCHEMBL10764957 0.80 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10762825 0.80 PDE3A (0.42) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10764423 0.79 PDE3B (0.40) PDE3APDE3BSMN1; SMN2MAPTKDM4E

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-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP disclosed
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