SCHEMBL10762866

SCHEMBL10762866

C#CCS(=O)(=O)c1ccccc1C=CC1=NNC(=O)CC1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 11/20 0.45
▸ PDE3A Q14432 11/20 0.45
▸ BRD4 O60885 3/20 0.39
▸ CREBBP Q92793 2/20 0.39
▸ PBRM1 Q86U86 1/20 0.34
▸ GPR119 Q8TDV5 4/20 0.34
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ TNNC1 P63316 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
SCHEMBL10765623 0.85 PDE3A (0.43) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10760629 0.84 CREBBP (0.54) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10759798 0.81 PDE3B (0.59) PDE3BPDE3APBRM1TNNC1
SCHEMBL10764423 0.81 PDE3B (0.40) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10765577 0.80 PDE3B (0.47) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10764370 0.80 PDE3B (0.34) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10761165 0.79 PDE3A (0.47) PDE3BPDE3AGPR119
SCHEMBL10761696 0.79 PDE3A (0.47) PDE3BPDE3AGPR119
SCHEMBL10762902 0.78 PDE3A (0.43) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10764678 0.78 PDE3B (0.43) 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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