SCHEMBL10764057

SCHEMBL10764057

COc1cc(C(C)=CC2=NNC(=O)CC2C)c(OC)cc1SC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 16/20 0.41
▸ PDE4B Q07343 11/20 0.41
▸ PDE3B Q13370 8/20 0.41
▸ PDE4A P27815 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10763253 0.84 PDE3A (0.42) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10762762 0.84 PDE3A (0.45) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10762052 0.84 PDE3B (0.42) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10764734 0.84 PDE3A (0.45) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10767048 0.83 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10763918 0.82 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10765698 0.82 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10765856 0.82 PDE3A (0.40) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10767452 0.81 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10768383 0.81 PDE3A (0.42) 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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