SCHEMBL10767320

SCHEMBL10767320

CC1CC(=O)NN=C1C=Cc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 6/20 0.53
▸ PDE3B Q13370 8/20 0.51
▸ PDE3A Q14432 8/20 0.51
▸ BRD4 O60885 3/20 0.43
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ PBRM1 Q86U86 1/20 0.36
▸ MAOB P27338 3/20 0.36
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 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
SCHEMBL10760276 0.85 PDE3B (0.61) CREBBPPDE3BPDE3APTGS1PTGS2
SCHEMBL10766791 0.85 PDE3B (0.46) CREBBPPDE3BPDE3ABRD4PTGS1
SCHEMBL10765577 0.84 PDE3B (0.47) CREBBPPDE3BPDE3ABRD4PTGS1
SCHEMBL10765618 0.81 PDE3B (0.54) CREBBPPDE3BPDE3ABRD4PTGS1
SCHEMBL10764454 0.81 PDE3B (0.54) PDE3BPDE3APTGS1PTGS2MAOB
SCHEMBL10764318 0.81 PDE3B (0.57) PDE3BPDE3APTGS1PTGS2PBRM1
SCHEMBL10764414 0.81 PDE3B (0.54) CREBBPPDE3BPDE3ABRD4PTGS1
SCHEMBL10761986 0.81 PDE3A (0.47) CREBBPPDE3BPDE3APDE4APDE4B
SCHEMBL10766164 0.80 PDE3B (0.52) CREBBPPDE3BPDE3ABRD4PTGS1
SCHEMBL10760816 0.79 PDE3B (0.55) CREBBPPDE3BPDE3ABRD4PTGS1

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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