SCHEMBL10764081

SCHEMBL10764081

C=CC[S+]([O-])c1ccccc1C(C)=CC1=NNC(=O)CC1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 8/20 0.38
▸ PDE3A Q14432 8/20 0.38
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PBRM1 Q86U86 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
SCHEMBL10766913 0.86 PDE3B (0.38) PDE3BPDE3ABRD4CREBBPMAPT
SCHEMBL10766154 0.85 PDE3A (0.42) PDE3BPDE3ABRD4CREBBPMAPT
SCHEMBL10764091 0.84 PDE3B (0.39) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10765377 0.81 PDE3B (0.32) PDE3BPDE3ABRD4CREBBPMAPT
SCHEMBL10763206 0.81 PDE3A (0.42) PDE3BPDE3ABRD4CREBBPMAPT
SCHEMBL10766069 0.80 PDE3B (0.37) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10764393 0.79 PDE3A (0.39) PDE3BPDE3AMAPTSMN1; SMN2
SCHEMBL10767822 0.79 PDE3A (0.37) PDE3BPDE3AMAPTSMN1; SMN2
SCHEMBL10769112 0.77 PDE3B (0.39) PDE3BPDE3ABRD4CREBBPMAPT
SCHEMBL10764573 0.76 PDE3A (0.38) PDE3BPDE3ABRD4CREBBPMAPT

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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