SCHEMBL10760816

SCHEMBL10760816

CC1CC(=O)NN=C1C=Cc1ccc(S(C)(=O)=O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 0.55
▸ PDE3A Q14432 13/20 0.55
▸ CREBBP Q92793 3/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PBRM1 Q86U86 1/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ GALR3 O60755 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 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
SCHEMBL10766381 0.84 PDE3A (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10763474 0.82 PDE3A (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10766207 0.81 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10760276 0.81 PDE3B (0.61) PDE3BPDE3ACREBBPPDE4APDE4B
SCHEMBL10763936 0.81 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10762400 0.81 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10767320 0.79 CREBBP (0.53) PDE3BPDE3ACREBBPPDE4APDE4B
SCHEMBL10759796 0.79 PDE3B (0.69) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10760052 0.78 PDE3B (0.56) PDE3BPDE3AALDH1A1GAAPTGS2
SCHEMBL10761813 0.78 PTGS2 (0.55) PDE3BPDE3AALDH1A1GAAPTGS1

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
Send feedback