SCHEMBL10766313

SCHEMBL10766313

CC1CC(=O)NN=C1C=Cc1ccc([S+](C)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 14/20 0.60
▸ PDE3A Q14432 14/20 0.60
▸ PBRM1 Q86U86 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GALR3 O60755 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 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
SCHEMBL10763316 0.85 PDE3B (0.50) PDE3BPDE3APBRM1GALR3ALDH1A1
SCHEMBL10763910 0.83 PDE3B (0.54) PDE3BPDE3APBRM1LMNARAB9A
SCHEMBL10761085 0.83 PDE3B (0.54) PDE3BPDE3APBRM1LMNARAB9A
SCHEMBL10761737 0.82 PDE3B (0.67) PDE3BPDE3APBRM1LMNARAB9A
SCHEMBL10764989 0.82 PDE3B (0.44) PDE3BPDE3ALMNAGALR3ALDH1A1
SCHEMBL10759796 0.81 PDE3B (0.69) PDE3BPDE3APBRM1LMNARAB9A
SCHEMBL7285568 0.81 PDE3B (0.65) PDE3BPDE3APBRM1LMNARAB9A
SCHEMBL10761194 0.81 PDE3B (0.65) PDE3BPDE3APBRM1LMNARAB9A
SCHEMBL10761216 0.81 PDE3B (0.65) PDE3BPDE3APBRM1LMNARAB9A
SCHEMBL10765163 0.81 PDE3B (0.65) PDE3BPDE3APBRM1LMNARAB9A

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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