SCHEMBL10764989

SCHEMBL10764989

CC1CC(=O)NN=C1C=Cc1ccc([S+](C)[O-])cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 0.44
▸ PDE3A Q14432 13/20 0.44
▸ GPR119 Q8TDV5 5/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ SLFN12 Q8IYM2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ GALR3 O60755 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PDE4A P27815 2/20 0.33
▸ PDE4B Q07343 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 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
SCHEMBL10761102 0.86 PDE3A (0.43) PDE3BPDE3AGPR119MAPTPDE4A
SCHEMBL10766295 0.84 PDE3A (0.46) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL10766313 0.82 PDE3B (0.60) PDE3BPDE3AALDH1A1LMNAMAPT
SCHEMBL10759920 0.82 PDE3B (0.44) PDE3BPDE3AGPR119F10PDE4A
SCHEMBL10763316 0.81 PDE3B (0.50) PDE3BPDE3AALDH1A1GALR3GAA
SCHEMBL10760896 0.81 PDE3B (0.45) PDE3BPDE3AGPR119F10PDE4A
SCHEMBL10764837 0.78 PDE3A (0.46) PDE3BPDE3AGPR119ALDH1A1SLFN12
SCHEMBL10762031 0.77 PDE3B (0.42) PDE3BPDE3AGPR119ALDH1A1SLFN12
SCHEMBL10766207 0.74 PDE3B (0.54) PDE3BPDE3AGPR119ALDH1A1SLFN12
SCHEMBL10764887 0.73 PDE3A (0.45) PDE3BPDE3AGPR119ALDH1A1LMNA

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