SCHEMBL10766069

SCHEMBL10766069

C=CC[S+]([O-])c1cccc(C(C)=CC2=NNC(=O)CC2C)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 7/20 0.37
▸ PDE3A Q14432 7/20 0.37
▸ BRD4 O60885 2/20 0.32
▸ CREBBP Q92793 2/20 0.32
▸ PBRM1 Q86U86 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
SCHEMBL10764091 0.88 PDE3B (0.39) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10762017 0.86 PDE3B (0.37) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10761048 0.86 PDE3B (0.40) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10763886 0.82 PDE3B (0.33) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10764393 0.81 PDE3A (0.39) PDE3BPDE3A
SCHEMBL10767822 0.81 PDE3A (0.37) PDE3BPDE3A
SCHEMBL10762928 0.81 PDE3B (0.45) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10764081 0.80 PDE3B (0.38) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10768838 0.78 ALDH1A1 (0.38) PDE3BPDE3ABRD4CREBBP
SCHEMBL10760898 0.78 PDE3B (0.37) PDE3BPDE3ABRD4CREBBPPBRM1

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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