SCHEMBL10765487

SCHEMBL10765487

CC(=CC1=NNC(=O)CC1C)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 8/20 0.41
▸ PDE3A Q14432 8/20 0.41
▸ CREBBP Q92793 6/20 0.38
▸ BRD4 O60885 3/20 0.38
▸ PBRM1 Q86U86 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33

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
SCHEMBL10766296 0.86 PDE3B (0.44) PDE3BPDE3ACREBBPBRD4PBRM1
SCHEMBL10760898 0.86 PDE3B (0.37) PDE3BPDE3ACREBBPBRD4PBRM1
SCHEMBL10766237 0.85 PDE3B (0.39) PDE3BPDE3ACREBBPBRD4PBRM1
SCHEMBL10769782 0.82 PDE3A (0.37) PDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL10765517 0.81 PDE3B (0.42) PDE3BPDE3ACREBBPBRD4PBRM1
SCHEMBL10761048 0.79 PDE3B (0.40) PDE3BPDE3ACREBBPBRD4PBRM1
SCHEMBL10762825 0.79 PDE3A (0.42) PDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL10762787 0.79 PDE3A (0.42) PDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL10769626 0.79 PDE3A (0.44) PDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL10765566 0.79 PDE3A (0.44) PDE3BPDE3ASMN1; SMN2GAA

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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