SCHEMBL10761986

SCHEMBL10761986

COc1cc(C=CC2=NNC(=O)CC2C)cc(S(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 10/20 0.47
▸ PDE3B Q13370 8/20 0.47
▸ PDE4B Q07343 4/20 0.38
▸ XDH P47989 2/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ABCB11 O95342 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ CYP1A1 P04798 2/20 0.36
▸ CYP1B1 Q16678 2/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35

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
SCHEMBL10761029 0.82 PDE3A (0.47) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10767320 0.81 CREBBP (0.53) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10764225 0.81 PDE3A (0.48) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10760276 0.81 PDE3B (0.61) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10769782 0.81 PDE3A (0.37) PDE3APDE3BPDE4BXDHPDE4A
SCHEMBL10765848 0.81 PDE3A (0.35) PDE3APDE3BPDE4BXDHPDE4A
SCHEMBL10764887 0.80 PDE3A (0.45) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10762558 0.78 PDE3A (0.44) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10766381 0.78 PDE3A (0.50) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10763214 0.78 PDE3B (0.43) PDE3APDE3BPDE4BPDE4APDE4C

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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