SCHEMBL10763339

SCHEMBL10763339

COc1ccc([S+](C)[O-])cc1C=C(C)C1=NNC(=O)CC1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 15/20 0.43
▸ PDE4B Q07343 12/20 0.43
▸ PDE3B Q13370 5/20 0.43
▸ PDE4A P27815 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ GPR119 Q8TDV5 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ABCB11 O95342 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 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
SCHEMBL10765771 0.92 PDE3A (0.41) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10761353 0.85 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10761782 0.83 PDE3A (0.44) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10760145 0.82 PDE3A (0.43) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10761958 0.82 PDE4B (0.45) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10764750 0.81 PDE3B (0.41) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10766295 0.81 PDE3A (0.46) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10760774 0.81 PDE3A (0.41) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10762749 0.80 PDE3A (0.39) PDE3APDE4BPDE3BPDE4APDE4C
SCHEMBL10760439 0.80 PDE3A (0.41) 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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