SCHEMBL10761085

SCHEMBL10761085

C=CC[S+]([O-])c1ccc(C=CC2=NNC(=O)CC2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 11/20 0.54
▸ PDE3A Q14432 11/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ LMNA P02545 4/20 0.32
▸ MAPT P10636 4/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PBRM1 Q86U86 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GALR3 O60755 2/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ GPR119 Q8TDV5 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
SCHEMBL10762928 0.87 PDE3B (0.45) PDE3BPDE3ASMN1; SMN2LMNAMAPT
SCHEMBL10763910 0.84 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2LMNAMAPT
SCHEMBL10766313 0.83 PDE3B (0.60) PDE3BPDE3ASMN1; SMN2LMNAMAPT
SCHEMBL10764359 0.82 PDE3A (0.45) PDE3BPDE3ASMN1; SMN2LMNARAB9A
SCHEMBL10766026 0.82 PDE3A (0.45) PDE3BPDE3ASMN1; SMN2LMNAMAPT
SCHEMBL10764091 0.82 PDE3B (0.39) PDE3BPDE3APBRM1
SCHEMBL10763206 0.81 PDE3A (0.42) PDE3BPDE3ALMNAMAPTPBRM1
SCHEMBL10765905 0.81 PDE3B (0.38) PDE3BPDE3APBRM1
SCHEMBL10764072 0.79 PDE3B (0.57) PDE3BPDE3ASMN1; SMN2LMNAMAPT
SCHEMBL10760541 0.77 PDE3B (0.56) PDE3BPDE3ASMN1; SMN2LMNAMAPT

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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