SCHEMBL10766451

SCHEMBL10766451

COc1cc(S(C)(=O)=O)ccc1C=C(C)C1=NNC(=O)CC1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 12/20 0.42
▸ PDE4B Q07343 11/20 0.42
▸ PDE3B Q13370 2/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ GPR119 Q8TDV5 4/20 0.37
▸ ABCB11 O95342 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ TOP2B Q02880 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ERN1 O75460 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
SCHEMBL10761782 0.92 PDE3A (0.44) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10766280 0.84 PDE3A (0.40) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10765771 0.83 PDE3A (0.41) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10759628 0.82 PDE3A (0.42) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10765410 0.82 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10765495 0.81 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10760965 0.80 PDE3B (0.41) PDE3APDE3B
SCHEMBL10762558 0.80 PDE3A (0.44) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10763908 0.80 PDE3A (0.41) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10761038 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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