SCHEMBL10766296

SCHEMBL10766296

CC(=CC1=NNC(=O)CC1C)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 8/20 0.44
▸ PDE3A Q14432 8/20 0.44
▸ PTGS2 P35354 4/20 0.35
▸ AKR1C3 P42330 2/20 0.35
▸ PBRM1 Q86U86 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34

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
SCHEMBL10765487 0.86 PDE3B (0.41) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10760260 0.84 PDE3B (0.42) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10761795 0.83 PDE3B (0.43) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10765960 0.82 PDE3B (0.43) PDE3BPDE3APBRM1BRD4CREBBP
SCHEMBL10769782 0.81 PDE3A (0.37) PDE3BPDE3A
SCHEMBL10769626 0.80 PDE3A (0.44) PDE3BPDE3A
SCHEMBL10762825 0.80 PDE3A (0.42) PDE3BPDE3A
SCHEMBL10762787 0.80 PDE3A (0.42) PDE3BPDE3A
SCHEMBL10765566 0.80 PDE3A (0.44) PDE3BPDE3A
SCHEMBL10760714 0.79 PDE3A (0.42) PDE3BPDE3APBRM1BRD4CREBBP

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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