SCHEMBL10766207

SCHEMBL10766207

CC1CC(=O)NN=C1C=Cc1ccc([S+](C)[O-])c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 14/20 0.54
▸ PDE3A Q14432 14/20 0.54
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SLFN12 Q8IYM2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GALR3 O60755 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ PBRM1 Q86U86 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL10764747 0.86 PDE3A (0.50) PDE3BPDE3AMAPTLMNAPDE4A
SCHEMBL10761226 0.83 PDE3A (0.49) PDE3BPDE3AMAPTLMNAPDE4A
SCHEMBL10763316 0.82 PDE3B (0.50) PDE3BPDE3AALDH1A1GALR3GAA
SCHEMBL10766313 0.81 PDE3B (0.60) PDE3BPDE3AMAPTALDH1A1LMNA
SCHEMBL10760816 0.81 PDE3B (0.55) PDE3BPDE3AALDH1A1GALR3GAA
SCHEMBL10762400 0.80 PDE3B (0.56) PDE3BPDE3AALDH1A1PDE4APDE4B
SCHEMBL10763936 0.80 PDE3B (0.56) PDE3BPDE3AMAPTGALR3PDE4A
SCHEMBL10764837 0.79 PDE3A (0.46) PDE3BPDE3AMAPTALDH1A1SLFN12
SCHEMBL10765022 0.78 PTGS2 (0.54) PDE3BPDE3AMAPTLMNAGAA
SCHEMBL10759796 0.78 PDE3B (0.69) PDE3BPDE3AMAPTLMNAGAA

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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