SCHEMBL10761958

SCHEMBL10761958

COc1ccc(SC)cc1C=C(C)C1=NNC(=O)CC1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 14/20 0.45
▸ PDE3A Q14432 14/20 0.45
▸ PDE3B Q13370 4/20 0.45
▸ PDE4A P27815 3/20 0.45
▸ PDE4C Q08493 3/20 0.45
▸ PDE4D Q08499 3/20 0.45
▸ GPR119 Q8TDV5 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ABCB11 O95342 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 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
SCHEMBL10759628 0.92 PDE3A (0.42) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL10761208 0.84 PDE3A (0.41) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL10761782 0.82 PDE3A (0.44) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL10763339 0.82 PDE3A (0.43) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL10759456 0.81 PDE3A (0.45) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL10763440 0.81 PDE3A (0.40) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL10765744 0.80 PDE3A (0.39) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL10760273 0.80 PDE3B (0.42) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL10764480 0.80 PDE3A (0.47) PDE4BPDE3APDE3BPDE4APDE4C
SCHEMBL10760114 0.79 PDE3A (0.42) PDE4BPDE3APDE3BPDE4APDE4C

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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