SCHEMBL10764957

SCHEMBL10764957

C#CC[S+]([O-])c1cc(C(C)=CC2=NNC(=O)CC2C)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 14/20 0.39
▸ PDE4B Q07343 13/20 0.39
▸ PDE3B Q13370 4/20 0.39
▸ PDE4A P27815 3/20 0.39
▸ PDE4C Q08493 3/20 0.39
▸ PDE4D Q08499 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ RARA P10276 1/20 0.31
▸ RARB P10826 1/20 0.31
▸ RARG P13631 1/20 0.31
▸ GPR119 Q8TDV5 2/20 0.30
▸ NQO2 P16083 1/20 0.30
▸ PTGS1 P23219 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
SCHEMBL10767522 0.93 PDE3A (0.37) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10764393 0.88 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10762431 0.87 PDE3A (0.43) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10765934 0.83 PDE3B (0.39) PDE3APDE3BKDM4EALDH1A1
SCHEMBL10765731 0.83 PDE3A (0.45) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10762398 0.82 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10765916 0.82 PDE3A (0.42) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10762017 0.81 PDE3B (0.37) PDE3APDE3B
SCHEMBL10767822 0.80 PDE3A (0.37) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10768474 0.80 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C

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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