SCHEMBL10767452

SCHEMBL10767452

COc1cc(C(C)=CC2=NNC(=O)CC2C)cc(SC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 9/20 0.39
▸ PDE4B Q07343 7/20 0.39
▸ PDE3B Q13370 4/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ TUBB1 Q9H4B7 4/20 0.36
▸ ABCB1 P08183 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 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
SCHEMBL10768383 0.87 PDE3A (0.42) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10763253 0.87 PDE3A (0.42) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10764734 0.87 PDE3A (0.45) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10765935 0.83 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10760785 0.82 PDE3A (0.38) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10764057 0.81 PDE3A (0.41) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10764697 0.80 PDE3B (0.45) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10767001 0.80 PDE3A (0.41) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10767048 0.80 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10765837 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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