SCHEMBL10765976

SCHEMBL10765976

COc1cc(C(C)=CC2=NNC(=O)CC2C)cc([S+](C)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 13/20 0.36
▸ PDE3B Q13370 9/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE4B Q07343 6/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ ABCB11 O95342 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ GPR119 Q8TDV5 2/20 0.33
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GFER P55789 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
SCHEMBL10768228 0.83 PDE3A (0.41) PDE3APDE3BKDM4EALDH1A1SMN1; SMN2
SCHEMBL10761048 0.82 PDE3B (0.40) PDE3APDE3BALDH1A1PDE4BPDE4A
SCHEMBL10765960 0.82 PDE3B (0.43) PDE3APDE3BKDM4EALDH1A1SMN1; SMN2
SCHEMBL10769782 0.80 PDE3A (0.37) PDE3APDE3BKDM4EALDH1A1SMN1; SMN2
SCHEMBL10764887 0.80 PDE3A (0.45) PDE3APDE3BKDM4EALDH1A1SMN1; SMN2
SCHEMBL10760785 0.80 PDE3A (0.38) PDE3APDE3BKDM4EALDH1A1SMN1; SMN2
SCHEMBL10767421 0.80 PDE3A (0.35) PDE3APDE3BKDM4EALDH1A1SMN1; SMN2
SCHEMBL10765916 0.80 PDE3A (0.42) PDE3APDE3BKDM4EALDH1A1SMN1; SMN2
SCHEMBL10767590 0.79 PDE3A (0.38) PDE3APDE3BKDM4EALDH1A1SMN1; SMN2
SCHEMBL10769221 0.79 PDE3A (0.38) PDE3APDE3BKDM4EALDH1A1SMN1; SMN2

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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