SCHEMBL10769112

SCHEMBL10769112

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 8/20 0.39
▸ PDE3A Q14432 8/20 0.39
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ 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
SCHEMBL10760714 0.85 PDE3A (0.42) PDE3BPDE3ABRD4CREBBPMAPT
SCHEMBL10764423 0.85 PDE3B (0.40) PDE3BPDE3ABRD4CREBBPMAPT
SCHEMBL10760260 0.81 PDE3B (0.42) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10765623 0.80 PDE3A (0.43) PDE3BPDE3ABRD4CREBBPMAPT
SCHEMBL10760898 0.80 PDE3B (0.37) PDE3BPDE3ABRD4CREBBPPBRM1
SCHEMBL10763554 0.80 KDM4E (0.33) PDE3BPDE3ABRD4CREBBPKDM4E
SCHEMBL10771165 0.79 PDE3A (0.40) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL10763808 0.79 PDE3A (0.38) PDE3BPDE3AMAPTSMN1; SMN2KDM4E
SCHEMBL10764081 0.77 PDE3B (0.38) PDE3BPDE3ABRD4CREBBPMAPT
SCHEMBL10768128 0.76 PDE3B (0.39) 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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